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

C20H28N2O2 — CID 108974951

IUPAC1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1(C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C20H28N2O2/c1-3-17-10-6-7-13-22(17)19(24)20(11-12-20)18(23)21-14-16-9-5-4-8-15(16)2/h4-5,8-9,17H,3,6-7,10-14H2,1-2H3,(H,21,23)
InChIKeyGRNGEOWWYRIYMO-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.18
Rot. Bonds5

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

1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide (PubChem CID 108974951) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
PubChem CID108974951
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1(C(=O)NCc2ccccc2C)CC1
InChIInChI=1S/C20H28N2O2/c1-3-17-10-6-7-13-22(17)19(24)20(11-12-20)18(23)21-14-16-9-5-4-8-15(16)2/h4-5,8-9,17H,3,6-7,10-14H2,1-2H3,(H,21,23)
InChIKeyGRNGEOWWYRIYMO-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108980069
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
1-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974414
ethyl 2-[[1-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108980112
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 108978161
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 108979259
N-[(2-methylphenyl)methyl]-1-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974926
1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108973786
N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971442
(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone
CID 108979977

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide (CID 108974951) is 1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide is CCC1CCCCN1C(=O)C1(C(=O)NCc2ccccc2C)CC1.
What is the InChIKey of 1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is GRNGEOWWYRIYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-3-17-10-6-7-13-22(17)19(24)20(11-12-20)18(23)21-14-16-9-5-4-8-15(16)2/h4-5,8-9,17H,3,6-7,10-14H2,1-2H3,(H,21,23).
What are the key properties of 1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide?
1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108974951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).