(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide

C21H26N2O2 — CID 95851579

IUPAC(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCNC1
InChIInChI=1S/C21H26N2O2/c1-22-20(24)21(12-3-13-23-15-21)14-16-4-6-17(7-5-16)18-8-10-19(25-2)11-9-18/h4-11,23H,3,12-15H2,1-2H3,(H,22,24)/t21-/m1/s1
InChIKeyPTCVLZMXHJXFRC-OAQYLSRUSA-N
MW338.45 g/mol
LogP3.02
Rot. Bonds5

About (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide

(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 95851579) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
PubChem CID95851579
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCNC1
InChIInChI=1S/C21H26N2O2/c1-22-20(24)21(12-3-13-23-15-21)14-16-4-6-17(7-5-16)18-8-10-19(25-2)11-9-18/h4-11,23H,3,12-15H2,1-2H3,(H,22,24)/t21-/m1/s1
InChIKeyPTCVLZMXHJXFRC-OAQYLSRUSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585094
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585095
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130
(3S)-N,N-dimethyl-3-[[4-(4-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 95851565
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 69475295
1-[(4-methoxyphenyl)methyl]-N-methyl-3-[(4-pyridin-4-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231391
(3R)-1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 92595276
3-ethyl-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
CID 63132813
(3S)-N-methyl-3-(3-pyridin-4-ylpropyl)piperidine-3-carboxamide
CID 95842972
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571
1-[2-(4-methoxyphenyl)acetyl]-N-methyl-3-[(4-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 110231207

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide (CID 95851579) is (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide is CNC(=O)[C@@]1(Cc2ccc(-c3ccc(OC)cc3)cc2)CCCNC1.
What is the InChIKey of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is PTCVLZMXHJXFRC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-22-20(24)21(12-3-13-23-15-21)14-16-4-6-17(7-5-16)18-8-10-19(25-2)11-9-18/h4-11,23H,3,12-15H2,1-2H3,(H,22,24)/t21-/m1/s1.
What are the key properties of (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide?
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 95851579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).