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

C19H27ClN2O2 — CID 120625684

IUPAC(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CCN1
InChIInChI=1S/C19H27ClN2O2/c1-14-11-15(5-8-21-14)18(23)22-13-19(6-9-24-10-7-19)16-3-2-4-17(20)12-16/h2-4,12,14-15,21H,5-11,13H2,1H3,(H,22,23)/t14-,15-/m0/s1
InChIKeyFRCLVNMMBUIHSC-GJZGRUSLSA-N
MW350.89 g/mol
LogP2.89
Rot. Bonds4

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

(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120625684) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is (2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide
PubChem CID120625684
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CCN1
InChIInChI=1S/C19H27ClN2O2/c1-14-11-15(5-8-21-14)18(23)22-13-19(6-9-24-10-7-19)16-3-2-4-17(20)12-16/h2-4,12,14-15,21H,5-11,13H2,1H3,(H,22,23)/t14-,15-/m0/s1
InChIKeyFRCLVNMMBUIHSC-GJZGRUSLSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120625678
(2S,4S)-N-[[1-(3-chlorophenyl)cyclopentyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625677
(2S,4S)-2-methyl-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide
CID 120623333
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide
CID 119749930
3-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119749889
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
(2S,4S)-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630724
(2R,3S)-N-[[1-(3-chlorophenyl)cyclopropyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120934617
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide
CID 56581269
(2R)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylbutanamide
CID 94643933
(2R)-2-amino-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]propanamide;hydrochloride
CID 119303940

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide (CID 120625684) is (2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)NCC2(c3cccc(Cl)c3)CCOCC2)CCN1.
What is the InChIKey of (2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is FRCLVNMMBUIHSC-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c1-14-11-15(5-8-21-14)18(23)22-13-19(6-9-24-10-7-19)16-3-2-4-17(20)12-16/h2-4,12,14-15,21H,5-11,13H2,1H3,(H,22,23)/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 350.89 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120625684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).