1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

C23H28N2O3 — CID 113003971

IUPAC1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(OCC(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-7-9-21(10-8-17)28-16-22(26)25-13-11-19(12-14-25)23(27)24-15-20-6-4-3-5-18(20)2/h3-10,19H,11-16H2,1-2H3,(H,24,27)
InChIKeyAFNVXXZYUATUKF-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.24
Rot. Bonds6

About 1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 113003971) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
PubChem CID113003971
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
SMILESCc1ccc(OCC(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)cc1
InChIInChI=1S/C23H28N2O3/c1-17-7-9-21(10-8-17)28-16-22(26)25-13-11-19(12-14-25)23(27)24-15-20-6-4-3-5-18(20)2/h3-10,19H,11-16H2,1-2H3,(H,24,27)
InChIKeyAFNVXXZYUATUKF-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113006540
N-(2-methoxyethyl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003233
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55762545
1-(cyclopropanecarbonyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 39730995
N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55694691
N-benzyl-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-4-carboxamide
CID 26456516
N-benzyl-1-[2-(4-bromophenoxy)acetyl]piperidine-4-carboxamide
CID 27832067
N-benzyl-1-[2-(4-fluorophenoxy)acetyl]piperidine-4-carboxamide
CID 26456587
N-[(4-fluoro-3-methylphenyl)methyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 86931753
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
1-(3,4-dimethoxybenzoyl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 113003957
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 113003181

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide (CID 113003971) is 1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is Cc1ccc(OCC(=O)N2CCC(C(=O)NCc3ccccc3C)CC2)cc1.
What is the InChIKey of 1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is AFNVXXZYUATUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17-7-9-21(10-8-17)28-16-22(26)25-13-11-19(12-14-25)23(27)24-15-20-6-4-3-5-18(20)2/h3-10,19H,11-16H2,1-2H3,(H,24,27).
What are the key properties of 1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide?
1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylphenoxy)acetyl]-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 113003971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).