4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

C21H26N2O2 — CID 119793204

IUPAC4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(-c3cccc(C)c3)cc2)CCNCC1
InChIInChI=1S/C21H26N2O2/c1-16-4-3-5-19(14-16)18-8-6-17(7-9-18)15-23-20(24)21(25-2)10-12-22-13-11-21/h3-9,14,22H,10-13,15H2,1-2H3,(H,23,24)
InChIKeyFBCPVVSBTCLFNH-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.05
Rot. Bonds5

About 4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide

4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119793204) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119793204
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOC1(C(=O)NCc2ccc(-c3cccc(C)c3)cc2)CCNCC1
InChIInChI=1S/C21H26N2O2/c1-16-4-3-5-19(14-16)18-8-6-17(7-9-18)15-23-20(24)21(25-2)10-12-22-13-11-21/h3-9,14,22H,10-13,15H2,1-2H3,(H,23,24)
InChIKeyFBCPVVSBTCLFNH-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
4-methoxy-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 119716391
N-[(3-fluoro-4-methylphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119697511
ethyl 4-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746522
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
4-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119712888
N-[[4-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718289
4-methoxy-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119770587
methyl 2-[3-[[(4-methoxypiperidine-4-carbonyl)amino]methyl]phenoxy]acetate
CID 119787129
4-methoxy-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-4-carboxamide
CID 119699303
4-methoxy-N-[(4-methyl-2-methylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119811691

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide (CID 119793204) is 4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is COC1(C(=O)NCc2ccc(-c3cccc(C)c3)cc2)CCNCC1.
What is the InChIKey of 4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is FBCPVVSBTCLFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16-4-3-5-19(14-16)18-8-6-17(7-9-18)15-23-20(24)21(25-2)10-12-22-13-11-21/h3-9,14,22H,10-13,15H2,1-2H3,(H,23,24).
What are the key properties of 4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide?
4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[4-(3-methylphenyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119793204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).