2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide

C21H26N2O3 — CID 51134992

IUPAC2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCCC2Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C21H26N2O3/c1-25-19-13-17(14-20(15-19)26-2)22-21(24)23-11-7-6-10-18(23)12-16-8-4-3-5-9-16/h3-5,8-9,13-15,18H,6-7,10-12H2,1-2H3,(H,22,24)
InChIKeyORXSRSDBPXPQTO-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.33
Rot. Bonds5

About 2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide

2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 51134992) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
PubChem CID51134992
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCCCC2Cc2ccccc2)cc(OC)c1
InChIInChI=1S/C21H26N2O3/c1-25-19-13-17(14-20(15-19)26-2)22-21(24)23-11-7-6-10-18(23)12-16-8-4-3-5-9-16/h3-5,8-9,13-15,18H,6-7,10-12H2,1-2H3,(H,22,24)
InChIKeyORXSRSDBPXPQTO-UHFFFAOYSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-benzylazepane-1-carboxylate
CID 102314657
(2R)-N-(3-acetylphenyl)-2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 96998424
2-benzyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidine-1-carboxamide
CID 51105702
2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
2-(hydroxymethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 60582022
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
1-N-benzyl-2-N-(3,5-dimethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219752
2-(aminomethyl)-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63765209
(2S)-2-[2-(dimethylamino)ethyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 97331505
methyl (2R)-1-[(3-methoxyphenyl)carbamoyl]piperidine-2-carboxylate
CID 115536153
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide (CID 51134992) is 2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCCCC2Cc2ccccc2)cc(OC)c1.
What is the InChIKey of 2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is ORXSRSDBPXPQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-25-19-13-17(14-20(15-19)26-2)22-21(24)23-11-7-6-10-18(23)12-16-8-4-3-5-9-16/h3-5,8-9,13-15,18H,6-7,10-12H2,1-2H3,(H,22,24).
What are the key properties of 2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide?
2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 51134992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).