2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide

C16H23N3O2 — CID 95227434

IUPAC2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide
SMILESCCC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C16H23N3O2/c1-2-15(20)16(21)18-10-13-6-5-9-19(11-13)12-14-7-3-4-8-17-14/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyZQZDAJWQJDKGDC-ZDUSSCGKSA-N
MW289.38 g/mol
LogP1.39
Rot. Bonds6

About 2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide

2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide (PubChem CID 95227434) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound Name2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide
PubChem CID95227434
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide
SMILESCCC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1
InChIInChI=1S/C16H23N3O2/c1-2-15(20)16(21)18-10-13-6-5-9-19(11-13)12-14-7-3-4-8-17-14/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,21)/t13-/m0/s1
InChIKeyZQZDAJWQJDKGDC-ZDUSSCGKSA-N
XLogP1.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-benzyl-3-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]urea
CID 95201612
N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]propane-1-sulfonamide
CID 95211899
1-(4-chlorophenyl)-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 25288199
[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanol;hydrochloride
CID 167311617
2-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]pyridine
CID 95844895
N-[(5-methylfuran-2-yl)methyl]-3-[1-(pyridin-2-ylmethyl)piperidin-3-yl]propanamide
CID 45240334
4-methoxy-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42520803
N-[[1-(2-pyridin-2-ylethyl)piperidin-3-yl]methyl]ethanamine
CID 63847232
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
(3S)-1-(pyridin-2-ylmethyl)piperidin-3-amine
CID 39221497
N-(cyclohexylmethyl)-3-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 92577417
N'-(4-acetamidophenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887250

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of 2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide (CID 95227434) is 2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for 2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for 2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide is CCC(=O)C(=O)NC[C@@H]1CCCN(Cc2ccccn2)C1.
What is the InChIKey of 2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide?
The InChIKey is ZQZDAJWQJDKGDC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-15(20)16(21)18-10-13-6-5-9-19(11-13)12-14-7-3-4-8-17-14/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,18,21)/t13-/m0/s1.
What are the key properties of 2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide?
2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide has a molecular weight of 289.38 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 95227434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).