2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide

C24H28N2O3 — CID 109140261

IUPAC2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CC2C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H28N2O3/c1-29-20-9-5-8-19(15-20)25-23(27)21-16-22(21)24(28)26-12-10-18(11-13-26)14-17-6-3-2-4-7-17/h2-9,15,18,21-22H,10-14,16H2,1H3,(H,25,27)
InChIKeyWFABJWNILMFSJD-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.75
Rot. Bonds6

About 2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide

2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 109140261) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID109140261
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1cccc(NC(=O)C2CC2C(=O)N2CCC(Cc3ccccc3)CC2)c1
InChIInChI=1S/C24H28N2O3/c1-29-20-9-5-8-19(15-20)25-23(27)21-16-22(21)24(28)26-12-10-18(11-13-26)14-17-6-3-2-4-7-17/h2-9,15,18,21-22H,10-14,16H2,1H3,(H,25,27)
InChIKeyWFABJWNILMFSJD-UHFFFAOYSA-N
XLogP3.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153
2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134584
2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 109140259
cis-(1R,2S)-2-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]-N,N-dimethylcyclopropane-1-carboxamide
CID 126808966
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087
2-(4-benzylpiperidine-1-carbonyl)-N-cycloheptylcyclopropane-1-carboxamide
CID 109139698
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143314
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137057
1-N-(3-methoxyphenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137105
(4-benzylpiperidin-1-yl)-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 40640492

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide (CID 109140261) is 2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide is COc1cccc(NC(=O)C2CC2C(=O)N2CCC(Cc3ccccc3)CC2)c1.
What is the InChIKey of 2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is WFABJWNILMFSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-29-20-9-5-8-19(15-20)25-23(27)21-16-22(21)24(28)26-12-10-18(11-13-26)14-17-6-3-2-4-7-17/h2-9,15,18,21-22H,10-14,16H2,1H3,(H,25,27).
What are the key properties of 2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide?
2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109140261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).