N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

C19H26N2O2 — CID 108980140

IUPACN-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C19H26N2O2/c1-3-15-8-4-5-9-16(15)20-17(22)19(10-11-19)18(23)21-12-6-7-14(2)13-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,20,22)
InChIKeyQPSLNCRHBHZRJX-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.23
Rot. Bonds4

About N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108980140) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108980140
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C19H26N2O2/c1-3-15-8-4-5-9-16(15)20-17(22)19(10-11-19)18(23)21-12-6-7-14(2)13-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,20,22)
InChIKeyQPSLNCRHBHZRJX-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.23
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

N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980226
N-(2,3-dichlorophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980221
N-[(2-fluorophenyl)methyl]-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975681
1-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 108977259
N-(2,6-diethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971661
N-(2-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972398
N-(2-bromophenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972470
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972413
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108980140) is N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is CCc1ccccc1NC(=O)C1(C(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is QPSLNCRHBHZRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-15-8-4-5-9-16(15)20-17(22)19(10-11-19)18(23)21-12-6-7-14(2)13-21/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,20,22).
What are the key properties of N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108980140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).