3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide

C14H19N3O2 — CID 61250819

IUPAC3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
SMILESCC(=O)CC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N3O2/c1-11(18)10-14(19)16-12-5-8-17(9-6-12)13-4-2-3-7-15-13/h2-4,7,12H,5-6,8-10H2,1H3,(H,16,19)
InChIKeyDNHOACDYUMSIIQ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.15
Rot. Bonds4

About 3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide

3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide (PubChem CID 61250819) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
PubChem CID61250819
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
SMILESCC(=O)CC(=O)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C14H19N3O2/c1-11(18)10-14(19)16-12-5-8-17(9-6-12)13-4-2-3-7-15-13/h2-4,7,12H,5-6,8-10H2,1H3,(H,16,19)
InChIKeyDNHOACDYUMSIIQ-UHFFFAOYSA-N
XLogP1.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 60867246
5-amino-4-methyl-N-(1-pyridin-2-ylpiperidin-4-yl)pentanamide
CID 82013435
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
2-(1-hydroxycyclohexyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 111331870
1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 56826840
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
2-(5-amino-2-pyridinyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide;dihydrochloride
CID 120643499
2-(4-acetamidophenyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 99696681
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
2-(2,5-dimethoxyphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 78876192
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide?
The IUPAC name of 3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide (CID 61250819) is 3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide.
What is the SMILES notation for 3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide?
The canonical SMILES for 3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide is CC(=O)CC(=O)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide?
The InChIKey is DNHOACDYUMSIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(18)10-14(19)16-12-5-8-17(9-6-12)13-4-2-3-7-15-13/h2-4,7,12H,5-6,8-10H2,1H3,(H,16,19).
What are the key properties of 3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide?
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide has a molecular weight of 261.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide is sourced from PubChem (CID 61250819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).