3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide

C16H25N3O — CID 81404285

IUPAC3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
SMILESCC(CC(=O)N[C@@H](C)c1cccnc1)C1CCCNC1
InChIInChI=1S/C16H25N3O/c1-12(14-5-3-7-17-10-14)9-16(20)19-13(2)15-6-4-8-18-11-15/h4,6,8,11-14,17H,3,5,7,9-10H2,1-2H3,(H,19,20)/t12?,13-,14?/m0/s1
InChIKeyXDLQNFRMTHXYRM-MOKVOYLWSA-N
MW275.40 g/mol
LogP2.28
Rot. Bonds5

About 3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide

3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide (PubChem CID 81404285) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
PubChem CID81404285
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
SMILESCC(CC(=O)N[C@@H](C)c1cccnc1)C1CCCNC1
InChIInChI=1S/C16H25N3O/c1-12(14-5-3-7-17-10-14)9-16(20)19-13(2)15-6-4-8-18-11-15/h4,6,8,11-14,17H,3,5,7,9-10H2,1-2H3,(H,19,20)/t12?,13-,14?/m0/s1
InChIKeyXDLQNFRMTHXYRM-MOKVOYLWSA-N
XLogP2.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
3-piperidin-3-yl-1-pyridin-3-ylbutan-1-one
CID 116594349
3-piperidin-3-yl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]butanamide
CID 119788718
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
The IUPAC name of 3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide (CID 81404285) is 3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide.
What is the SMILES notation for 3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
The canonical SMILES for 3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide is CC(CC(=O)N[C@@H](C)c1cccnc1)C1CCCNC1.
What is the InChIKey of 3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
The InChIKey is XDLQNFRMTHXYRM-MOKVOYLWSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(14-5-3-7-17-10-14)9-16(20)19-13(2)15-6-4-8-18-11-15/h4,6,8,11-14,17H,3,5,7,9-10H2,1-2H3,(H,19,20)/t12?,13-,14?/m0/s1.
What are the key properties of 3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide?
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide has a molecular weight of 275.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide is sourced from PubChem (CID 81404285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).