N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide

C17H25ClN2O — CID 62210178

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide
SMILESCC(Cc1ccccc1Cl)NC(=O)CCC1CCNCC1
InChIInChI=1S/C17H25ClN2O/c1-13(12-15-4-2-3-5-16(15)18)20-17(21)7-6-14-8-10-19-11-9-14/h2-5,13-14,19H,6-12H2,1H3,(H,20,21)
InChIKeyMZPKSEHPOWJVEX-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.17
Rot. Bonds6

About N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide

N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide (PubChem CID 62210178) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide
PubChem CID62210178
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide
SMILESCC(Cc1ccccc1Cl)NC(=O)CCC1CCNCC1
InChIInChI=1S/C17H25ClN2O/c1-13(12-15-4-2-3-5-16(15)18)20-17(21)7-6-14-8-10-19-11-9-14/h2-5,13-14,19H,6-12H2,1H3,(H,20,21)
InChIKeyMZPKSEHPOWJVEX-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(2-chlorophenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 81379365
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
(3R)-N-[1-(2-chlorophenyl)propan-2-yl]piperidine-3-carboxamide
CID 81123725
N-butan-2-yl-3-piperidin-4-ylpropanamide
CID 62210305
N-(2,6-dichlorophenyl)-3-piperidin-4-ylpropanamide
CID 65468978
N-[1-(2-chlorophenyl)propan-2-yl]-4-ethylpiperidine-2-carboxamide
CID 114428187
(2S)-2-phenyl-2-(3-piperidin-4-ylpropanoylamino)acetic acid
CID 103870984
2-(azetidin-3-ylidene)-N-[1-(2-chlorophenyl)propan-2-yl]propanamide
CID 116675198
2-(butan-2-ylamino)-N-[1-(2-chlorophenyl)propan-2-yl]acetamide
CID 60853929
N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide
CID 62211240
N-(1-ethylsulfanylpropan-2-yl)-3-piperidin-4-ylpropanamide
CID 115870642
3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 81409978

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide (CID 62210178) is N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide is CC(Cc1ccccc1Cl)NC(=O)CCC1CCNCC1.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide?
The InChIKey is MZPKSEHPOWJVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-13(12-15-4-2-3-5-16(15)18)20-17(21)7-6-14-8-10-19-11-9-14/h2-5,13-14,19H,6-12H2,1H3,(H,20,21).
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide?
N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide has a molecular weight of 308.85 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62210178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).