2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide

C23H33N3O2 — CID 109140342

IUPAC2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H33N3O2/c1-2-18-8-4-7-15-26(18)23(28)21-16-20(21)22(27)24-17-9-11-19(12-10-17)25-13-5-3-6-14-25/h9-12,18,20-21H,2-8,13-16H2,1H3,(H,24,27)
InChIKeyJDVBUARIIIOISW-UHFFFAOYSA-N
MW383.54 g/mol
LogP4.04
Rot. Bonds5

About 2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide

2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 109140342) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
PubChem CID109140342
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C23H33N3O2/c1-2-18-8-4-7-15-26(18)23(28)21-16-20(21)22(27)24-17-9-11-19(12-10-17)25-13-5-3-6-14-25/h9-12,18,20-21H,2-8,13-16H2,1H3,(H,24,27)
InChIKeyJDVBUARIIIOISW-UHFFFAOYSA-N
XLogP4.04
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140375
2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 109140348
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140356
methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140336
2-(2-ethylpiperidine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 109140302
2-(4-acetylpiperazine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109134764
2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108990903
1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone
CID 109006467
4-(2-ethylpiperidine-1-carbonyl)-N-(4-fluorophenyl)cyclohexane-1-carboxamide
CID 109150013
2-(azepane-1-carbonyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 109140745
2-(morpholine-4-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109133407
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide (CID 109140342) is 2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide is CCC1CCCCN1C(=O)C1CC1C(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is JDVBUARIIIOISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-2-18-8-4-7-15-26(18)23(28)21-16-20(21)22(27)24-17-9-11-19(12-10-17)25-13-5-3-6-14-25/h9-12,18,20-21H,2-8,13-16H2,1H3,(H,24,27).
What are the key properties of 2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide?
2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109140342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).