2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide

C20H28N2O2 — CID 109135337

IUPAC2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)NCc1cccc(C)c1
InChIInChI=1S/C20H28N2O2/c1-3-16-9-4-5-10-22(16)20(24)18-12-17(18)19(23)21-13-15-8-6-7-14(2)11-15/h6-8,11,16-18H,3-5,9-10,12-13H2,1-2H3,(H,21,23)
InChIKeyVGDKETDMLFYPHB-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.04
Rot. Bonds5

About 2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide

2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 109135337) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID109135337
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)NCc1cccc(C)c1
InChIInChI=1S/C20H28N2O2/c1-3-16-9-4-5-10-22(16)20(24)18-12-17(18)19(23)21-13-15-8-6-7-14(2)11-15/h6-8,11,16-18H,3-5,9-10,12-13H2,1-2H3,(H,21,23)
InChIKeyVGDKETDMLFYPHB-UHFFFAOYSA-N
XLogP3.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
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
(2-ethylpiperidin-1-yl)-[5-[(3-methylphenyl)methylamino]-2-pyridinyl]methanone
CID 109188527
2-(2-hydroxyethyl)-N-[(3-methylphenyl)methyl]piperidine-1-carboxamide
CID 108898255
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
1-[(3-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61204446
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109140342
2-ethyl-N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-1-carboxamide
CID 87004700
(2R)-N-[(3-methylphenyl)methyl]-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide
CID 126449054

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide (CID 109135337) is 2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide is CCC1CCCCN1C(=O)C1CC1C(=O)NCc1cccc(C)c1.
What is the InChIKey of 2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is VGDKETDMLFYPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-16-9-4-5-10-22(16)20(24)18-12-17(18)19(23)21-13-15-8-6-7-14(2)11-15/h6-8,11,16-18H,3-5,9-10,12-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide?
2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidine-1-carbonyl)-N-[(3-methylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 109135337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).