3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide

C15H23N3O — CID 81409978

IUPAC3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCC1CCNCC1)c1ccncc1
InChIInChI=1S/C15H23N3O/c1-12(14-6-10-17-11-7-14)18-15(19)3-2-13-4-8-16-9-5-13/h6-7,10-13,16H,2-5,8-9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWWQPXLZAYDDYKV-LBPRGKRZSA-N
MW261.37 g/mol
LogP2.04
Rot. Bonds5

About 3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide

3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide (PubChem CID 81409978) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide
PubChem CID81409978
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCC1CCNCC1)c1ccncc1
InChIInChI=1S/C15H23N3O/c1-12(14-6-10-17-11-7-14)18-15(19)3-2-13-4-8-16-9-5-13/h6-7,10-13,16H,2-5,8-9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyWWQPXLZAYDDYKV-LBPRGKRZSA-N
XLogP2.04
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62212277
3-piperidin-4-yl-N-(1-thiophen-3-ylethyl)propanamide
CID 62844393
N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 124517249
2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 64616162
2-(azetidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409827
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 81379365
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-3-piperidin-4-ylpropanamide
CID 106388288
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide;hydrochloride
CID 119686100
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The IUPAC name of 3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide (CID 81409978) is 3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide.
What is the SMILES notation for 3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The canonical SMILES for 3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide is C[C@H](NC(=O)CCC1CCNCC1)c1ccncc1.
What is the InChIKey of 3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The InChIKey is WWQPXLZAYDDYKV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12(14-6-10-17-11-7-14)18-15(19)3-2-13-4-8-16-9-5-13/h6-7,10-13,16H,2-5,8-9H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide is sourced from PubChem (CID 81409978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).