1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide

C24H32N2O3 — CID 3377343

IUPAC1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)C2CCCN(Cc3ccccc3)C2)cc1OC
InChIInChI=1S/C24H32N2O3/c1-25(15-13-19-11-12-22(28-2)23(16-19)29-3)24(27)21-10-7-14-26(18-21)17-20-8-5-4-6-9-20/h4-6,8-9,11-12,16,21H,7,10,13-15,17-18H2,1-3H3
InChIKeyNCIABWFZLZTAJL-UHFFFAOYSA-N
MW396.53 g/mol
LogP3.62
Rot. Bonds8

About 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide

1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 3377343) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
PubChem CID3377343
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
SMILESCOc1ccc(CCN(C)C(=O)C2CCCN(Cc3ccccc3)C2)cc1OC
InChIInChI=1S/C24H32N2O3/c1-25(15-13-19-11-12-22(28-2)23(16-19)29-3)24(27)21-10-7-14-26(18-21)17-20-8-5-4-6-9-20/h4-6,8-9,11-12,16,21H,7,10,13-15,17-18H2,1-3H3
InChIKeyNCIABWFZLZTAJL-UHFFFAOYSA-N
XLogP3.62
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide (CID 3377343) is 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide is COc1ccc(CCN(C)C(=O)C2CCCN(Cc3ccccc3)C2)cc1OC.
What is the InChIKey of 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is NCIABWFZLZTAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-25(15-13-19-11-12-22(28-2)23(16-19)29-3)24(27)21-10-7-14-26(18-21)17-20-8-5-4-6-9-20/h4-6,8-9,11-12,16,21H,7,10,13-15,17-18H2,1-3H3.
What are the key properties of 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide?
1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 3.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 3377343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).