N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide

C84H167N13O15 — CID 161015595

IUPACN-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide
SMILESCC(=O)N1CCC(CCCNC(=O)C(C)C)CC1.CC(C)C(=O)NCCC1CCCCC1.CC(C)C(=O)NCCN1CCCC(=O)C1.CCOC(CCCNC(=O)C(C)C)OCC.COC(CNC(=O)C(C)C)OC.COCCN1CCCN(CCNC(=O)C(C)C)CC1.COCCN1CCN(CCNC(=O)C(C)C)CC1
InChIInChI=1S/C14H29N3O2.C14H26N2O2.C13H27N3O2.C12H25NO3.C12H23NO.C11H20N2O2.C8H17NO3/c1-13(2)14(18)15-5-8-16-6-4-7-17(10-9-16)11-12-19-3;1-11(2)14(18)15-8-4-5-13-6-9-16(10-7-13)12(3)17;1-12(2)13(17)14-4-5-15-6-8-16(9-7-15)10-11-18-3;1-5-15-11(16-6-2)8-7-9-13-12(14)10(3)4;1-10(2)12(14)13-9-8-11-6-4-3-5-7-11;1-9(2)11(15)12-5-7-13-6-3-4-10(14)8-13;1-6(2)8(10)9-5-7(11-3)12-4/h13H,4-12H2,1-3H3,(H,15,18);11,13H,4-10H2,1-3H3,(H,15,18);12H,4-11H2,1-3H3,(H,14,17);10-11H,5-9H2,1-4H3,(H,13,14);10-11H,3-9H2,1-2H3,(H,13,14);9H,3-8H2,1-2H3,(H,12,15);6-7H,5H2,1-4H3,(H,9,10)
InChIKeyTXRICOJVKAMJCY-UHFFFAOYSA-N
MW1599.34 g/mol
LogP7.70
Rot. Bonds41

About N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide

N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide (PubChem CID 161015595) has the molecular formula C84H167N13O15 and a molecular weight of 1599.34 g/mol. Its IUPAC name is N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide
PubChem CID161015595
Molecular FormulaC84H167N13O15
Molecular Weight1599.34 g/mol
Exact Mass1598.27
IUPAC NameN-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide
SMILESCC(=O)N1CCC(CCCNC(=O)C(C)C)CC1.CC(C)C(=O)NCCC1CCCCC1.CC(C)C(=O)NCCN1CCCC(=O)C1.CCOC(CCCNC(=O)C(C)C)OCC.COC(CNC(=O)C(C)C)OC.COCCN1CCCN(CCNC(=O)C(C)C)CC1.COCCN1CCN(CCNC(=O)C(C)C)CC1
InChIInChI=1S/C14H29N3O2.C14H26N2O2.C13H27N3O2.C12H25NO3.C12H23NO.C11H20N2O2.C8H17NO3/c1-13(2)14(18)15-5-8-16-6-4-7-17(10-9-16)11-12-19-3;1-11(2)14(18)15-8-4-5-13-6-9-16(10-7-13)12(3)17;1-12(2)13(17)14-4-5-15-6-8-16(9-7-15)10-11-18-3;1-5-15-11(16-6-2)8-7-9-13-12(14)10(3)4;1-10(2)12(14)13-9-8-11-6-4-3-5-7-11;1-9(2)11(15)12-5-7-13-6-3-4-10(14)8-13;1-6(2)8(10)9-5-7(11-3)12-4/h13H,4-12H2,1-3H3,(H,15,18);11,13H,4-10H2,1-3H3,(H,15,18);12H,4-11H2,1-3H3,(H,14,17);10-11H,5-9H2,1-4H3,(H,13,14);10-11H,3-9H2,1-2H3,(H,13,14);9H,3-8H2,1-2H3,(H,12,15);6-7H,5H2,1-4H3,(H,9,10)
InChIKeyTXRICOJVKAMJCY-UHFFFAOYSA-N
XLogP7.70
TPSA312.66 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds41
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001599.34
LogP ≤ 57.70
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide?
The IUPAC name of N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide (CID 161015595) is N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide is CC(=O)N1CCC(CCCNC(=O)C(C)C)CC1.CC(C)C(=O)NCCC1CCCCC1.CC(C)C(=O)NCCN1CCCC(=O)C1.CCOC(CCCNC(=O)C(C)C)OCC.COC(CNC(=O)C(C)C)OC.COCCN1CCCN(CCNC(=O)C(C)C)CC1.COCCN1CCN(CCNC(=O)C(C)C)CC1.
What is the InChIKey of N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide?
The InChIKey is TXRICOJVKAMJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2.C14H26N2O2.C13H27N3O2.C12H25NO3.C12H23NO.C11H20N2O2.C8H17NO3/c1-13(2)14(18)15-5-8-16-6-4-7-17(10-9-16)11-12-19-3;1-11(2)14(18)15-8-4-5-13-6-9-16(10-7-13)12(3)17;1-12(2)13(17)14-4-5-15-6-8-16(9-7-15)10-11-18-3;1-5-15-11(16-6-2)8-7-9-13-12(14)10(3)4;1-10(2)12(14)13-9-8-11-6-4-3-5-7-11;1-9(2)11(15)12-5-7-13-6-3-4-10(14)8-13;1-6(2)8(10)9-5-7(11-3)12-4/h13H,4-12H2,1-3H3,(H,15,18);11,13H,4-10H2,1-3H3,(H,15,18);12H,4-11H2,1-3H3,(H,14,17);10-11H,5-9H2,1-4H3,(H,13,14);10-11H,3-9H2,1-2H3,(H,13,14);9H,3-8H2,1-2H3,(H,12,15);6-7H,5H2,1-4H3,(H,9,10).
What are the key properties of N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide?
N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide has a molecular weight of 1599.34 g/mol, XLogP of 7.70, 41 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-acetylpiperidin-4-yl)propyl]-2-methylpropanamide;N-(2-cyclohexylethyl)-2-methylpropanamide;N-(4,4-diethoxybutyl)-2-methylpropanamide;N-(2,2-dimethoxyethyl)-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]ethyl]-2-methylpropanamide;N-[2-[4-(2-methoxyethyl)piperazin-1-yl]ethyl]-2-methylpropanamide;2-methyl-N-[2-(3-oxopiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 161015595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).