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

C23H27N3O2 — CID 109137057

IUPAC2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1CC1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c27-22(25-16-19-7-4-10-24-15-19)20-14-21(20)23(28)26-11-8-18(9-12-26)13-17-5-2-1-3-6-17/h1-7,10,15,18,20-21H,8-9,11-14,16H2,(H,25,27)
InChIKeyMJMKZJIHAHMJFL-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.82
Rot. Bonds6

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

2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 109137057) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID109137057
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1cccnc1)C1CC1C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c27-22(25-16-19-7-4-10-24-15-19)20-14-21(20)23(28)26-11-8-18(9-12-26)13-17-5-2-1-3-6-17/h1-7,10,15,18,20-21H,8-9,11-14,16H2,(H,25,27)
InChIKeyMJMKZJIHAHMJFL-UHFFFAOYSA-N
XLogP2.82
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperidine-1-carbonyl)-N-cycloheptylcyclopropane-1-carboxamide
CID 109139698
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 109137070
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 109140259
1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 98763014
1-N-(2-chlorophenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137091
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133655
4-(4-benzylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)phthalazine-1-carboxamide
CID 42690736
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
2-(4-benzylpiperidine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 109140261

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (CID 109137057) is 2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is O=C(NCc1cccnc1)C1CC1C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is MJMKZJIHAHMJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(25-16-19-7-4-10-24-15-19)20-14-21(20)23(28)26-11-8-18(9-12-26)13-17-5-2-1-3-6-17/h1-7,10,15,18,20-21H,8-9,11-14,16H2,(H,25,27).
What are the key properties of 2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
2-(4-benzylpiperidine-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.82, 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-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109137057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).