(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C19H28Cl2N2O — CID 120625677

IUPAC(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CCN1.Cl
InChIInChI=1S/C19H27ClN2O.ClH/c1-14-11-15(7-10-21-14)18(23)22-13-19(8-2-3-9-19)16-5-4-6-17(20)12-16;/h4-6,12,14-15,21H,2-3,7-11,13H2,1H3,(H,22,23);1H/t14-,15-;/m0./s1
InChIKeyULIIVSZRDPAPJT-YYLIZZNMSA-N
MW371.35 g/mol
LogP4.08
Rot. Bonds4

About (2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120625677) has the molecular formula C19H28Cl2N2O and a molecular weight of 371.35 g/mol. Its IUPAC name is (2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120625677
Molecular FormulaC19H28Cl2N2O
Molecular Weight371.35 g/mol
Exact Mass370.16
IUPAC Name(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESC[C@H]1C[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CCN1.Cl
InChIInChI=1S/C19H27ClN2O.ClH/c1-14-11-15(7-10-21-14)18(23)22-13-19(8-2-3-9-19)16-5-4-6-17(20)12-16;/h4-6,12,14-15,21H,2-3,7-11,13H2,1H3,(H,22,23);1H/t14-,15-;/m0./s1
InChIKeyULIIVSZRDPAPJT-YYLIZZNMSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625678
(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625684
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711
(2S,4S)-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630724
(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 120623333
3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119749889
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
(2R,3S)-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934617
1-(3-chlorophenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide;hydrochloride
CID 120601700
(2R)-2-amino-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]propanamide;hydrochloride
CID 119303910
(2S,4S)-N-[[1-(2-bromophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120635447
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120625677) is (2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is C[C@H]1C[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCCC2)CCN1.Cl.
What is the InChIKey of (2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is ULIIVSZRDPAPJT-YYLIZZNMSA-N. The full InChI is InChI=1S/C19H27ClN2O.ClH/c1-14-11-15(7-10-21-14)18(23)22-13-19(8-2-3-9-19)16-5-4-6-17(20)12-16;/h4-6,12,14-15,21H,2-3,7-11,13H2,1H3,(H,22,23);1H/t14-,15-;/m0./s1.
What are the key properties of (2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 371.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120625677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).