N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide

C20H25N3O2 — CID 9156673

IUPACN-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-6-3-4-9-19(16)22-10-12-23(13-11-22)20(24)21-15-17-7-5-8-18(14-17)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyMCXZHENPRLSMLY-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.04
Rot. Bonds4

About N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide

N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 9156673) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID9156673
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(CNC(=O)N2CCN(c3ccccc3C)CC2)c1
InChIInChI=1S/C20H25N3O2/c1-16-6-3-4-9-19(16)22-10-12-23(13-11-22)20(24)21-15-17-7-5-8-18(14-17)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)
InChIKeyMCXZHENPRLSMLY-UHFFFAOYSA-N
XLogP3.04
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-3-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
CID 10188853
1-(2-(Phenoxymethyl)phenyl)piperazine
CID 45483466
[4-[(4-Methoxy-2-methylphenyl)carbamoylamino]phenyl] sulfamate
CID 70692553
N-[(4-methoxyphenyl)methyl]-4-phenylpiperazine-1-carboxamide
CID 9155553
3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951
1-[1-(3-Methoxy-benzyl)-piperidin-4-yl]-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10547607
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methoxy-phenyl)-urea
CID 11363006
N-(2-methoxyphenyl)-N'-(2-phenylethyl)urea
CID 853786
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
N-[3-(4-benzylpiperidin-1-yl)propyl]-N'-(4-methoxyphenyl)urea
CID 16193711
6-methoxy-2,2,4-trimethyl-N-phenyl-3,4-dihydroquinoline-1(2H)-carboxamide
CID 3127094

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide (CID 9156673) is N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide is COc1cccc(CNC(=O)N2CCN(c3ccccc3C)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is MCXZHENPRLSMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-16-6-3-4-9-19(16)22-10-12-23(13-11-22)20(24)21-15-17-7-5-8-18(14-17)25-2/h3-9,14H,10-13,15H2,1-2H3,(H,21,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide?
N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 9156673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).