(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide

C18H27ClN2O — CID 120630325

IUPAC(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide
SMILESCCC(CC)(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O/c1-4-18(5-2,15-6-8-16(19)9-7-15)21-17(22)14-10-11-20-13(3)12-14/h6-9,13-14,20H,4-5,10-12H2,1-3H3,(H,21,22)/t13-,14-/m0/s1
InChIKeyBUEPXCFPYCWJJI-KBPBESRZSA-N
MW322.88 g/mol
LogP3.86
Rot. Bonds5

About (2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide (PubChem CID 120630325) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is (2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide
PubChem CID120630325
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide
SMILESCCC(CC)(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(Cl)cc1
InChIInChI=1S/C18H27ClN2O/c1-4-18(5-2,15-6-8-16(19)9-7-15)21-17(22)14-10-11-20-13(3)12-14/h6-9,13-14,20H,4-5,10-12H2,1-3H3,(H,21,22)/t13-,14-/m0/s1
InChIKeyBUEPXCFPYCWJJI-KBPBESRZSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
CID 119315399
N-[3-(4-chlorophenyl)pentan-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119769495
(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
CID 97310475
N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738889
(2S,4S)-N-[3-(4-chlorophenyl)propyl]-2-methylpiperidine-4-carboxamide
CID 120629610
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711
N-[3-(4-chlorophenyl)pentan-3-yl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405560
N-(4-chloro-2-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 106738674
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106738599
(2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120639907
(2S,4S)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631803
(2S,4S)-N-[5-chloro-2-(ethylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621169

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide (CID 120630325) is (2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide is CCC(CC)(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(Cl)cc1.
What is the InChIKey of (2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide?
The InChIKey is BUEPXCFPYCWJJI-KBPBESRZSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-4-18(5-2,15-6-8-16(19)9-7-15)21-17(22)14-10-11-20-13(3)12-14/h6-9,13-14,20H,4-5,10-12H2,1-3H3,(H,21,22)/t13-,14-/m0/s1.
What are the key properties of (2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide has a molecular weight of 322.88 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-(4-chlorophenyl)pentan-3-yl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120630325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).