(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide

C21H26N2O2 — CID 120631457

IUPAC(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(Oc2ccccc2CNC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-7-9-19(10-8-15)25-20-6-4-3-5-18(20)14-23-21(24)17-11-12-22-16(2)13-17/h3-10,16-17,22H,11-14H2,1-2H3,(H,23,24)/t16-,17-/m0/s1
InChIKeyDHNLOFOURVOJAE-IRXDYDNUSA-N
MW338.45 g/mol
LogP3.79
Rot. Bonds5

About (2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide

(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 120631457) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID120631457
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCc1ccc(Oc2ccccc2CNC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C21H26N2O2/c1-15-7-9-19(10-8-15)25-20-6-4-3-5-18(20)14-23-21(24)17-11-12-22-16(2)13-17/h3-10,16-17,22H,11-14H2,1-2H3,(H,23,24)/t16-,17-/m0/s1
InChIKeyDHNLOFOURVOJAE-IRXDYDNUSA-N
XLogP3.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
2-[[2-(4-methylphenoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976878
N-[[2-(methoxymethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 106739192
(2S,4S)-N-[(2-fluorophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120617128
(2R)-N-[[2-(4-methylphenoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95346618
(2S,4S)-N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637313
N-[(2,5-dimethoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739773
N-[[2-(4-methylphenoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119320233
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[[2-(diethylaminomethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120631658
(2S,4S)-N-[(4-chloro-2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120631755

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide (CID 120631457) is (2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide is Cc1ccc(Oc2ccccc2CNC(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of (2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is DHNLOFOURVOJAE-IRXDYDNUSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-7-9-19(10-8-15)25-20-6-4-3-5-18(20)14-23-21(24)17-11-12-22-16(2)13-17/h3-10,16-17,22H,11-14H2,1-2H3,(H,23,24)/t16-,17-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide?
(2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[[2-(4-methylphenoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120631457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).