N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide

C19H26N2O2 — CID 108972125

IUPACN-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(C(=O)N2CCCCC2)CC1)c1cccc(C)c1
InChIInChI=1S/C19H26N2O2/c1-3-21(16-9-7-8-15(2)14-16)18(23)19(10-11-19)17(22)20-12-5-4-6-13-20/h7-9,14H,3-6,10-13H2,1-2H3
InChIKeyFPKSNODGWRIGTR-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.14
Rot. Bonds4

About N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide

N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108972125) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108972125
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCN(C(=O)C1(C(=O)N2CCCCC2)CC1)c1cccc(C)c1
InChIInChI=1S/C19H26N2O2/c1-3-21(16-9-7-8-15(2)14-16)18(23)19(10-11-19)17(22)20-12-5-4-6-13-20/h7-9,14H,3-6,10-13H2,1-2H3
InChIKeyFPKSNODGWRIGTR-UHFFFAOYSA-N
XLogP3.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(4-methylpiperazine-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 108973986
N-ethyl-N-(3-methylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044713
1-N'-ethyl-1-N-(2-methylphenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980734
1-N'-ethyl-1-N'-(3-methylphenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970969
N-ethyl-N-(3-methylphenyl)cyclohexanecarboxamide
CID 533210
1-N'-ethyl-1-N-(3-methylbutyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979740
N,4-diethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 63128862
N,4-diethyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 108988562
1-N'-ethyl-1-N-(3-fluorophenyl)-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108983655
N-ethyl-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-phenylcyclopropane-1-carboxamide
CID 108978238
3-(4-acetylpiperazin-1-yl)-N-ethyl-2,2-dimethyl-N-(3-methylphenyl)-3-oxopropanamide
CID 108961312
N-ethyl-2-methyl-N-(3-methylphenyl)piperidine-2-carboxamide
CID 104596534

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108972125) is N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide is CCN(C(=O)C1(C(=O)N2CCCCC2)CC1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is FPKSNODGWRIGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-21(16-9-7-8-15(2)14-16)18(23)19(10-11-19)17(22)20-12-5-4-6-13-20/h7-9,14H,3-6,10-13H2,1-2H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108972125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).