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

C16H25N3O2 — CID 171359526

IUPAC(2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
SMILESCC(C)[C@@H](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)/t15-/m0/s1
InChIKeySDFOZKDNCGABBA-HNNXBMFYSA-N
MW291.39 g/mol
LogP1.50
Rot. Bonds5

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

(2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide (PubChem CID 171359526) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
PubChem CID171359526
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide
SMILESCC(C)[C@@H](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)/t15-/m0/s1
InChIKeySDFOZKDNCGABBA-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide?
The IUPAC name of (2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide (CID 171359526) is (2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide.
What is the SMILES notation for (2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide?
The canonical SMILES for (2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide is CC(C)[C@@H](C(=O)NCc1ccc(=O)[nH]c1)N1CCCCC1.
What is the InChIKey of (2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide?
The InChIKey is SDFOZKDNCGABBA-HNNXBMFYSA-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)/t15-/m0/s1.
What are the key properties of (2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide?
(2S)-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 (2S)-3-methyl-N-[(6-oxo-1H-pyridin-3-yl)methyl]-2-piperidin-1-ylbutanamide is sourced from PubChem (CID 171359526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).