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

C18H21N3O2 — CID 108980226

IUPACN-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC1CCCN(C(=O)C2(C(=O)Nc3ccccc3C#N)CC2)C1
InChIInChI=1S/C18H21N3O2/c1-13-5-4-10-21(12-13)17(23)18(8-9-18)16(22)20-15-7-3-2-6-14(15)11-19/h2-3,6-7,13H,4-5,8-10,12H2,1H3,(H,20,22)
InChIKeyAGFJRNSRQNGWAU-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.54
Rot. Bonds3

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

N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 108980226) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID108980226
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCC1CCCN(C(=O)C2(C(=O)Nc3ccccc3C#N)CC2)C1
InChIInChI=1S/C18H21N3O2/c1-13-5-4-10-21(12-13)17(23)18(8-9-18)16(22)20-15-7-3-2-6-14(15)11-19/h2-3,6-7,13H,4-5,8-10,12H2,1H3,(H,20,22)
InChIKeyAGFJRNSRQNGWAU-UHFFFAOYSA-N
XLogP2.54
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980140
N-(2-cyanophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108501574
N-(2,3-dichlorophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980221
N-(2-cyanophenyl)-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108979029
N-(2-cyanophenyl)-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978245
N-(2-cyanophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107563
N-(2-cyanophenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090441
1-N'-(2-cyanophenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980627
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
N-[(2-fluorophenyl)methyl]-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108975681
1-N'-(2-tert-butylphenyl)-1-N-(2-cyanophenyl)cyclopropane-1,1-dicarboxamide
CID 108982236

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 108980226) is N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is CC1CCCN(C(=O)C2(C(=O)Nc3ccccc3C#N)CC2)C1.
What is the InChIKey of N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is AGFJRNSRQNGWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-4-10-21(12-13)17(23)18(8-9-18)16(22)20-15-7-3-2-6-14(15)11-19/h2-3,6-7,13H,4-5,8-10,12H2,1H3,(H,20,22).
What are the key properties of N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 108980226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).