(2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide

C16H23ClN2O2 — CID 120639907

IUPAC(2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCCOc1cc(Cl)ccc1CNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C16H23ClN2O2/c1-3-21-15-9-14(17)5-4-13(15)10-19-16(20)12-6-7-18-11(2)8-12/h4-5,9,11-12,18H,3,6-8,10H2,1-2H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyANQRXBPNBGFBQF-RYUDHWBXSA-N
MW310.83 g/mol
LogP2.74
Rot. Bonds5

About (2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120639907) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is (2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
PubChem CID120639907
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name(2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
SMILESCCOc1cc(Cl)ccc1CNC(=O)[C@H]1CCN[C@@H](C)C1
InChIInChI=1S/C16H23ClN2O2/c1-3-21-15-9-14(17)5-4-13(15)10-19-16(20)12-6-7-18-11(2)8-12/h4-5,9,11-12,18H,3,6-8,10H2,1-2H3,(H,19,20)/t11-,12-/m0/s1
InChIKeyANQRXBPNBGFBQF-RYUDHWBXSA-N
XLogP2.74
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[(4-chloro-2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631755
(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637313
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
(2S,4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632254
N-[(4-chloro-2-ethoxyphenyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955148
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
(2S,4S)-N-[2-(2-bromo-5-chlorophenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120639627
(2S,4S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616882
1-[(4-chloro-2-ethoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122007640
(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
CID 120631457

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide (CID 120639907) is (2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide is CCOc1cc(Cl)ccc1CNC(=O)[C@H]1CCN[C@@H](C)C1.
What is the InChIKey of (2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is ANQRXBPNBGFBQF-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-21-15-9-14(17)5-4-13(15)10-19-16(20)12-6-7-18-11(2)8-12/h4-5,9,11-12,18H,3,6-8,10H2,1-2H3,(H,19,20)/t11-,12-/m0/s1.
What are the key properties of (2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 310.83 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[(4-chloro-2-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120639907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).