N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

C22H28N2O2 — CID 3237704

IUPACN-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CCCC(C(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C22H28N2O2/c1-23(15-18-9-4-3-5-10-18)22(25)20-12-8-14-24(17-20)16-19-11-6-7-13-21(19)26-2/h3-7,9-11,13,20H,8,12,14-17H2,1-2H3
InChIKeyYKJYYASDIHRSQI-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.57
Rot. Bonds6

About N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide

N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (PubChem CID 3237704) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
PubChem CID3237704
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccccc1CN1CCCC(C(=O)N(C)Cc2ccccc2)C1
InChIInChI=1S/C22H28N2O2/c1-23(15-18-9-4-3-5-10-18)22(25)20-12-8-14-24(17-20)16-19-11-6-7-13-21(19)26-2/h3-7,9-11,13,20H,8,12,14-17H2,1-2H3
InChIKeyYKJYYASDIHRSQI-UHFFFAOYSA-N
XLogP3.57
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide (CID 3237704) is N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is COc1ccccc1CN1CCCC(C(=O)N(C)Cc2ccccc2)C1.
What is the InChIKey of N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is YKJYYASDIHRSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-23(15-18-9-4-3-5-10-18)22(25)20-12-8-14-24(17-20)16-19-11-6-7-13-21(19)26-2/h3-7,9-11,13,20H,8,12,14-17H2,1-2H3.
What are the key properties of N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide?
N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-methoxyphenyl)methyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 3237704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).