1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide

C24H32N2O3 — CID 46766819

IUPAC1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H32N2O3/c1-4-21(20-10-11-22(28-2)23(16-20)29-3)25-24(27)19-12-14-26(15-13-19)17-18-8-6-5-7-9-18/h5-11,16,19,21H,4,12-15,17H2,1-3H3,(H,25,27)
InChIKeyNZUFOGZNDUIFJZ-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.18
Rot. Bonds8

About 1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide

1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide (PubChem CID 46766819) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
PubChem CID46766819
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C24H32N2O3/c1-4-21(20-10-11-22(28-2)23(16-20)29-3)25-24(27)19-12-14-26(15-13-19)17-18-8-6-5-7-9-18/h5-11,16,19,21H,4,12-15,17H2,1-3H3,(H,25,27)
InChIKeyNZUFOGZNDUIFJZ-UHFFFAOYSA-N
XLogP4.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide
CID 43928078
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
1-[(4-fluorophenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 46776533
1-[(2,4-dichlorophenyl)methyl]-N-[1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
CID 133162092
1-[(3-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024759
4-(azepan-1-ylmethyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 94014174
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]piperidine-4-carboxamide
CID 100689756
N-[1-(3,4-dimethoxyphenyl)propyl]-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 43926995
N-[1-(3,4-dimethylphenyl)propyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46766706
1-[(3,4-dichlorophenyl)methyl]-N-[(1S)-1-(3,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014039
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 3914392
1-[(4-chlorophenyl)methyl]-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]piperidine-4-carboxamide
CID 133191601

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide (CID 46766819) is 1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide is CCC(NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide?
The InChIKey is NZUFOGZNDUIFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-4-21(20-10-11-22(28-2)23(16-20)29-3)25-24(27)19-12-14-26(15-13-19)17-18-8-6-5-7-9-18/h5-11,16,19,21H,4,12-15,17H2,1-3H3,(H,25,27).
What are the key properties of 1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide?
1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide has a molecular weight of 396.53 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(3,4-dimethoxyphenyl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 46766819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).