6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine — IUPAC name, SMILES, InChIKey & properties

Name: 6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

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

6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (PubChem CID 157296290) has the molecular formula C81H125ClN20O6 and a molecular weight of 1510.48 g/mol. Its IUPAC name is 6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

Molecular Properties

Compound Name	6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
PubChem CID	157296290
Molecular Formula	C81H125ClN20O6
Molecular Weight	1510.48 g/mol
Exact Mass	1508.98
IUPAC Name	6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
SMILES	C=C(O)C1CCN(C)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCC(N2CCC[C@H]2C(=O)O)CC1.CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.CN1CCC2(CCNC2=O)CC1.CN1CCc2[nH]ncc2C1.CNCc1cn2ccccc2n1.Cc1nnc(C)n1C1CCN(C)CC1
InChI	InChI=1S/C14H18N2O.C13H16ClN3O.C11H20N2O2.C10H18N4.C9H11N3.C9H16N2O.C8H15NO.C7H11N3/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;1-12-7-4-9(5-8-12)13-6-2-3-10(13)11(14)15;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;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/h2-5,12H,6-10H2,1H3;2-3,8,10H,4-7H2,1H3,(H,15,18);9-10H,2-8H2,1H3,(H,14,15);10H,4-7H2,1-3H3;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)/t;;10-;;;;;/m..0...../s1
InChIKey	BBJPQTXVVXFQKG-LDGXYUFASA-N
XLogP	8.78
TPSA	259.37 Å²
H-Bond Donors	6
H-Bond Acceptors	21
Rotatable Bonds	8
Heavy Atoms	108
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1510.48
LogP ≤ 5	8.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

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

The IUPAC name of 6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine (CID 157296290) is 6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine.

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

The canonical SMILES for 6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is C=C(O)C1CCN(C)CC1.CN1CCC(N2C(=O)Cc3ccccc32)CC1.CN1CCC(N2CCC[C@H]2C(=O)O)CC1.CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1.CN1CCC2(CCNC2=O)CC1.CN1CCc2[nH]ncc2C1.CNCc1cn2ccccc2n1.Cc1nnc(C)n1C1CCN(C)CC1.

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

The InChIKey is BBJPQTXVVXFQKG-LDGXYUFASA-N. The full InChI is InChI=1S/C14H18N2O.C13H16ClN3O.C11H20N2O2.C10H18N4.C9H11N3.C9H16N2O.C8H15NO.C7H11N3/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;1-12-7-4-9(5-8-12)13-6-2-3-10(13)11(14)15;1-8-11-12-9(2)14(8)10-4-6-13(3)7-5-10;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/h2-5,12H,6-10H2,1H3;2-3,8,10H,4-7H2,1H3,(H,15,18);9-10H,2-8H2,1H3,(H,14,15);10H,4-7H2,1-3H3;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)/t;;10-;;;;;/m..0...../s1.

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

Where does this data come from?

All data for 6-chloro-3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;4-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-methylpiperidine;1-imidazo[1,2-a]pyridin-2-yl-N-methylmethanamine;8-methyl-2,8-diazaspiro[4.5]decan-1-one;1-(1-methylpiperidin-4-yl)ethenol;1-(1-methylpiperidin-4-yl)-3H-indol-2-one;(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxylic acid;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine is sourced from PubChem (CID 157296290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).