1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide

C22H28N2O2 — CID 1343442

IUPAC1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)NCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-5-8-19(16-21)17-24-14-11-20(12-15-24)22(25)23-13-10-18-6-3-2-4-7-18/h2-9,16,20H,10-15,17H2,1H3,(H,23,25)
InChIKeyBJNZUFRPLNOFQY-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.27
Rot. Bonds7

About 1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide

1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (PubChem CID 1343442) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
PubChem CID1343442
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
SMILESCOc1cccc(CN2CCC(C(=O)NCCc3ccccc3)CC2)c1
InChIInChI=1S/C22H28N2O2/c1-26-21-9-5-8-19(16-21)17-24-14-11-20(12-15-24)22(25)23-13-10-18-6-3-2-4-7-18/h2-9,16,20H,10-15,17H2,1H3,(H,23,25)
InChIKeyBJNZUFRPLNOFQY-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)piperidine-4-carboxamide
CID 43920642
N-[2-(diethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3152666
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
1-[(3-methoxyphenyl)methyl]-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917843
4-N-[2-(3-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 99559457
1-[(3-methoxyphenyl)methyl]-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 43917834
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[(4-methoxyphenyl)methyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 4551423
N-[(3-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 53284778
N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 51361887
1-[(3-methoxyphenyl)methyl]-N-naphthalen-2-ylpiperidine-4-carboxamide
CID 43919627
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 11036347

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide (CID 1343442) is 1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is COc1cccc(CN2CCC(C(=O)NCCc3ccccc3)CC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is BJNZUFRPLNOFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-26-21-9-5-8-19(16-21)17-24-14-11-20(12-15-24)22(25)23-13-10-18-6-3-2-4-7-18/h2-9,16,20H,10-15,17H2,1H3,(H,23,25).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 1343442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).