N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide

C16H23ClN2O — CID 81379365

IUPACN-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
SMILESC[C@H](NC(=O)CCC1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O/c1-12(14-4-2-3-5-15(14)17)19-16(20)7-6-13-8-10-18-11-9-13/h2-5,12-13,18H,6-11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyZQRRHQFGMPVOLQ-LBPRGKRZSA-N
MW294.83 g/mol
LogP3.30
Rot. Bonds5

About N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide

N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide (PubChem CID 81379365) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
PubChem CID81379365
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
SMILESC[C@H](NC(=O)CCC1CCNCC1)c1ccccc1Cl
InChIInChI=1S/C16H23ClN2O/c1-12(14-4-2-3-5-15(14)17)19-16(20)7-6-13-8-10-18-11-9-13/h2-5,12-13,18H,6-11H2,1H3,(H,19,20)/t12-/m0/s1
InChIKeyZQRRHQFGMPVOLQ-LBPRGKRZSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide
CID 62210178
N-[1-(2-chlorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide;hydrochloride
CID 119912445
3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 81409978
3-piperidin-4-yl-N-(1-thiophen-3-ylethyl)propanamide
CID 62844393
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-hydroxybutanamide
CID 81378925
N-[1-(4-cyanophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 62212277
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984
3-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 78771407
N-[1-(2-chlorophenyl)ethyl]-2-(methylamino)acetamide
CID 60641198
N-[1-(2-chlorophenyl)ethyl]-3-methylbutanamide
CID 78773468

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide (CID 81379365) is N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide is C[C@H](NC(=O)CCC1CCNCC1)c1ccccc1Cl.
What is the InChIKey of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide?
The InChIKey is ZQRRHQFGMPVOLQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(14-4-2-3-5-15(14)17)19-16(20)7-6-13-8-10-18-11-9-13/h2-5,12-13,18H,6-11H2,1H3,(H,19,20)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide?
N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide has a molecular weight of 294.83 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 81379365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).