N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide

C17H22N2O2 — CID 109132258

IUPACN-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1NC(=O)C1CC1C(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-12-7-3-4-8-15(12)18-16(20)13-11-14(13)17(21)19-9-5-2-6-10-19/h3-4,7-8,13-14H,2,5-6,9-11H2,1H3,(H,18,20)
InChIKeyNRJJZGWNKHSNRT-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.58
Rot. Bonds3

About N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide

N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109132258) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109132258
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccccc1NC(=O)C1CC1C(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-12-7-3-4-8-15(12)18-16(20)13-11-14(13)17(21)19-9-5-2-6-10-19/h3-4,7-8,13-14H,2,5-6,9-11H2,1H3,(H,18,20)
InChIKeyNRJJZGWNKHSNRT-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109132258) is N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide is Cc1ccccc1NC(=O)C1CC1C(=O)N1CCCCC1.
What is the InChIKey of N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is NRJJZGWNKHSNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-7-3-4-8-15(12)18-16(20)13-11-14(13)17(21)19-9-5-2-6-10-19/h3-4,7-8,13-14H,2,5-6,9-11H2,1H3,(H,18,20).
What are the key properties of N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109132258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).