1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide

C24H30N2O3 — CID 42849765

IUPAC1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2CCC(C(=O)NC3CC3)CN2Cc2ccccc2)cc1OC
InChIInChI=1S/C24H30N2O3/c1-28-22-13-9-18(14-23(22)29-2)21-12-8-19(24(27)25-20-10-11-20)16-26(21)15-17-6-4-3-5-7-17/h3-7,9,13-14,19-21H,8,10-12,15-16H2,1-2H3,(H,25,27)
InChIKeyBCVDRDZKOWUEIM-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.94
Rot. Bonds7

About 1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide

1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide (PubChem CID 42849765) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
PubChem CID42849765
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(C2CCC(C(=O)NC3CC3)CN2Cc2ccccc2)cc1OC
InChIInChI=1S/C24H30N2O3/c1-28-22-13-9-18(14-23(22)29-2)21-12-8-19(24(27)25-20-10-11-20)16-26(21)15-17-6-4-3-5-7-17/h3-7,9,13-14,19-21H,8,10-12,15-16H2,1-2H3,(H,25,27)
InChIKeyBCVDRDZKOWUEIM-UHFFFAOYSA-N
XLogP3.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 42870440
(3S,6S)-1-benzyl-N-(cyclopropylmethyl)-6-phenylpiperidine-3-carboxamide
CID 98754943
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 92984850
N-cyclopropyl-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42849448
3-[[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]benzamide
CID 136576676
N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 46065112
N-benzyl-2-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 51728109
(3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 129426509
(3S,6R)-1-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92984856
N-cyclopropyl-1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-3-carboxamide
CID 166601973
(1R,5S)-8-benzyl-N-(4,7-dimethoxy-2,3-dihydro-1H-inden-2-yl)-8-azabicyclo[3.2.1]octane-3-carboxamide
CID 70099398

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide (CID 42849765) is 1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide is COc1ccc(C2CCC(C(=O)NC3CC3)CN2Cc2ccccc2)cc1OC.
What is the InChIKey of 1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide?
The InChIKey is BCVDRDZKOWUEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-28-22-13-9-18(14-23(22)29-2)21-12-8-19(24(27)25-20-10-11-20)16-26(21)15-17-6-4-3-5-7-17/h3-7,9,13-14,19-21H,8,10-12,15-16H2,1-2H3,(H,25,27).
What are the key properties of 1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide?
1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-6-(3,4-dimethoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 42849765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).