3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide

C16H25N3O2 — CID 136526696

IUPAC3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NCc1ccc(=O)[nH]c1)N1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-12(2)15(19-8-4-3-5-9-19)16(21)18-11-13-6-7-14(20)17-10-13/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySDFOZKDNCGABBA-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.50
Rot. Bonds5

About 3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide

3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide (PubChem CID 136526696) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide.

Molecular Properties

Compound Name3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
PubChem CID136526696
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
SMILESCC(C)C(C(=O)NCc1ccc(=O)[nH]c1)N1CCCCC1
InChIInChI=1S/C16H25N3O2/c1-12(2)15(19-8-4-3-5-9-19)16(21)18-11-13-6-7-14(20)17-10-13/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySDFOZKDNCGABBA-UHFFFAOYSA-N
XLogP1.50
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-methyl-2-piperidin-1-ylbutanamide
CID 119548791
(2R)-N-[[4-(diethylsulfamoyl)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
CID 52506578
(6-oxo-1H-pyridin-3-yl)methylcarbamic acid
CID 155169577
N-[[3-(methanesulfonamido)phenyl]methyl]-3-methyl-2-pyrrolidin-1-ylbutanamide
CID 47076520
N-[(4-aminopyrimidin-2-yl)methyl]-3-methyl-2-piperidin-1-ylbutanamide
CID 75447744
N-benzyl-3-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]butanamide
CID 56588150
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
N-(2-methyl-3-piperidin-1-ylpropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 47292410
3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride
CID 119392993
2-(4-fluorophenyl)-N-[[4-(hydroxymethyl)phenyl]methyl]-2-piperidin-1-ylacetamide
CID 131937524
4-[(6-oxo-1H-pyridin-3-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 110748813

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide?
The IUPAC name of 3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide (CID 136526696) is 3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide.
What is the SMILES notation for 3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide?
The canonical SMILES for 3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide is CC(C)C(C(=O)NCc1ccc(=O)[nH]c1)N1CCCCC1.
What is the InChIKey of 3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide?
The InChIKey is SDFOZKDNCGABBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)15(19-8-4-3-5-9-19)16(21)18-11-13-6-7-14(20)17-10-13/h6-7,10,12,15H,3-5,8-9,11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of 3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide?
3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide is sourced from PubChem (CID 136526696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).