N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide

C25H30N2O4 — CID 46065112

IUPACN-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccccc3)CN(C(=O)C3CC3)C2)cc1OC
InChIInChI=1S/C25H30N2O4/c1-30-22-11-10-19(13-23(22)31-2)20-12-21(16-27(15-20)25(29)18-8-9-18)24(28)26-14-17-6-4-3-5-7-17/h3-7,10-11,13,18,20-21H,8-9,12,14-16H2,1-2H3,(H,26,28)
InChIKeyPXWWHSKBLLFOOS-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.36
Rot. Bonds7

About N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide

N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 46065112) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
PubChem CID46065112
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2CC(C(=O)NCc3ccccc3)CN(C(=O)C3CC3)C2)cc1OC
InChIInChI=1S/C25H30N2O4/c1-30-22-11-10-19(13-23(22)31-2)20-12-21(16-27(15-20)25(29)18-8-9-18)24(28)26-14-17-6-4-3-5-7-17/h3-7,10-11,13,18,20-21H,8-9,12,14-16H2,1-2H3,(H,26,28)
InChIKeyPXWWHSKBLLFOOS-UHFFFAOYSA-N
XLogP3.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide
CID 46065367
1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42865379
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92998980
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453
1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 42865383
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848
5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid
CID 42865225
5-(3,4-dimethoxyphenyl)-N-(furan-2-ylmethyl)-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 46065117
(3R,5S)-1-N-benzyl-5-(4-fluoro-3-methylphenyl)-3-N-[2-(2-methoxyphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 93001938
(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 92994853

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide (CID 46065112) is N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide is COc1ccc(C2CC(C(=O)NCc3ccccc3)CN(C(=O)C3CC3)C2)cc1OC.
What is the InChIKey of N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is PXWWHSKBLLFOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-30-22-11-10-19(13-23(22)31-2)20-12-21(16-27(15-20)25(29)18-8-9-18)24(28)26-14-17-6-4-3-5-7-17/h3-7,10-11,13,18,20-21H,8-9,12,14-16H2,1-2H3,(H,26,28).
What are the key properties of N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide?
N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 46065112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).