N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide

C16H25N3O2 — CID 91796818

IUPACN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide
SMILESCc1c[nH]c(CNC(=O)CCN2CCCCC2)c(C)c1=O
InChIInChI=1S/C16H25N3O2/c1-12-10-17-14(13(2)16(12)21)11-18-15(20)6-9-19-7-4-3-5-8-19/h10H,3-9,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyVDESSPUAEMNTEV-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.48
Rot. Bonds5

About N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide

N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide (PubChem CID 91796818) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide
PubChem CID91796818
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide
SMILESCc1c[nH]c(CNC(=O)CCN2CCCCC2)c(C)c1=O
InChIInChI=1S/C16H25N3O2/c1-12-10-17-14(13(2)16(12)21)11-18-15(20)6-9-19-7-4-3-5-8-19/h10H,3-9,11H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyVDESSPUAEMNTEV-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide?
The IUPAC name of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide (CID 91796818) is N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide is Cc1c[nH]c(CNC(=O)CCN2CCCCC2)c(C)c1=O.
What is the InChIKey of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide?
The InChIKey is VDESSPUAEMNTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-10-17-14(13(2)16(12)21)11-18-15(20)6-9-19-7-4-3-5-8-19/h10H,3-9,11H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide?
N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide has a molecular weight of 291.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 91796818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).