4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

C109H182ClN29O12 — CID 157330348

About 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine

4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 157330348) has the molecular formula C109H182ClN29O12 and a molecular weight of 2126.30 g/mol. Its IUPAC name is 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
• PubChem CID: 157330348
• Molecular Formula: C109H182ClN29O12
• Molecular Weight: 2126.30 g/mol
• Exact Mass: 2124.42
• IUPAC Name: 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
• SMILES: C=C(O)C1CCN(C)CC1.CCCCN1CCN(CC(N)=O)CC1.CN1CCC(N)(C(=O)O)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.CN1CCC2(CC1)CCN(C)C2=O.CN1CCC2(CCNC2=O)CC1.CN1CCNC(C(=O)O)C1.CN1CCc2[nH]ncc2C1.CNC1CN[C@H](C(=O)O)C1.CNCc1cn2ccccc2n1.Cc1nnc(C)n1C1CCN(C)CC1
• InChI: InChI=1S/C14H18N2O.C13H16ClN3O.C10H18N4.C10H21N3O.C10H18N2O.C9H11N3.C9H16N2O.C8H15NO.C7H11N3.C7H14N2O2.2C6H12N2O2/c1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14(16)17;1-16-6-4-10(5-7-16)17-12-3-2-9(14)8-11(12)15-13(17)18;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;1-2-3-4-12-5-7-13(8-6-12)9-10(11)14;1-11-6-3-10(4-7-11)5-8-12(2)9(10)13;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-11-6-3-9(4-7-11)2-5-10-8(9)12;1-7(10)8-3-5-9(2)6-4-8;1-10-3-2-7-6(5-10)4-8-9-7;1-9-4-2-7(8,3-5-9)6(10)11;1-7-4-2-5(6(9)10)8-3-4;1-8-3-2-7-5(4-8)6(9)10/h2-5,12H,6-10H2,1H3;2-3,8,10H,4-7H2,1H3,(H,15,18);10H,4-7H2,1-3H3;2-9H2,1H3,(H2,11,14);3-8H2,1-2H3;2-5,7,10H,6H2,1H3;2-7H2,1H3,(H,10,12);8,10H,1,3-6H2,2H3;4H,2-3,5H2,1H3,(H,8,9);2-5,8H2,1H3,(H,10,11);4-5,7-8H,2-3H2,1H3,(H,9,10);5,7H,2-4H2,1H3,(H,9,10)/t;;;;;;;;;;4?,5-;/m..........0./s1
• InChIKey: BFFDZUOEFIUAHL-RFAWZNPWSA-N
• XLogP: 6.09
• TPSA: 469.20 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2126.30
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The IUPAC name of 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 157330348) is 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

What is the SMILES notation for 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The canonical SMILES for 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is C=C(O)C1CCN(C)CC1.CCCCN1CCN(CC(N)=O)CC1.CN1CCC(N)(C(=O)O)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.CN1CCC2(CC1)CCN(C)C2=O.CN1CCC2(CCNC2=O)CC1.CN1CCNC(C(=O)O)C1.CN1CCc2[nH]ncc2C1.CNC1CN[C@H](C(=O)O)C1.CNCc1cn2ccccc2n1.Cc1nnc(C)n1C1CCN(C)CC1.

What is the InChIKey of 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

The InChIKey is BFFDZUOEFIUAHL-RFAWZNPWSA-N. The full InChI is InChI=1S/C14H18N2O.C13H16ClN3O.C10H18N4.C10H21N3O.C10H18N2O.C9H11N3.C9H16N2O.C8H15NO.C7H11N3.C7H14N2O2.2C6H12N2O2/c1-15-8-6-12(7-9-15)16-13-5-3-2-4-11(13)10-14(16)17;1-16-6-4-10(5-7-16)17-12-3-2-9(14)8-11(12)15-13(17)18;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;1-2-3-4-12-5-7-13(8-6-12)9-10(11)14;1-11-6-3-10(4-7-11)5-8-12(2)9(10)13;1-10-6-8-7-12-5-3-2-4-9(12)11-8;1-11-6-3-9(4-7-11)2-5-10-8(9)12;1-7(10)8-3-5-9(2)6-4-8;1-10-3-2-7-6(5-10)4-8-9-7;1-9-4-2-7(8,3-5-9)6(10)11;1-7-4-2-5(6(9)10)8-3-4;1-8-3-2-7-5(4-8)6(9)10/h2-5,12H,6-10H2,1H3;2-3,8,10H,4-7H2,1H3,(H,15,18);10H,4-7H2,1-3H3;2-9H2,1H3,(H2,11,14);3-8H2,1-2H3;2-5,7,10H,6H2,1H3;2-7H2,1H3,(H,10,12);8,10H,1,3-6H2,2H3;4H,2-3,5H2,1H3,(H,8,9);2-5,8H2,1H3,(H,10,11);4-5,7-8H,2-3H2,1H3,(H,9,10);5,7H,2-4H2,1H3,(H,9,10)/t;;;;;;;;;;4?,5-;/m..........0./s1.

What are the key properties of 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine?

4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine has a molecular weight of 2126.30 g/mol, XLogP of 6.09, 15 rotatable bonds, 13 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-methylpiperidine-4-carboxylic acid;2-(4-butylpiperazin-1-yl)acetamide;6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;2,8-dimethyl-2,8-diazaspiro[4.5]decan-1-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;(2S)-4-(methylamino)pyrrolidine-2-carboxylic acid;8-methyl-2,8-diazaspiro[4.5]decan-1-one;4-methylpiperazine-2-carboxylic acid;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 157330348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).