N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

C19H26N2O2 — CID 109135486

IUPACN-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2CC2C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C19H26N2O2/c1-13-5-7-15(8-6-13)11-20-18(22)16-10-17(16)19(23)21-9-3-4-14(2)12-21/h5-8,14,16-17H,3-4,9-12H2,1-2H3,(H,20,22)
InChIKeyOQBAKAZHTIKZHY-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.51
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109135486) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109135486
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2CC2C(=O)N2CCCC(C)C2)cc1
InChIInChI=1S/C19H26N2O2/c1-13-5-7-15(8-6-13)11-20-18(22)16-10-17(16)19(23)21-9-3-4-14(2)12-21/h5-8,14,16-17H,3-4,9-12H2,1-2H3,(H,20,22)
InChIKeyOQBAKAZHTIKZHY-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132193
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 108518107
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109136195
N-(4-ethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140401
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140395
2,2-dimethyl-N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108962002
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
2-[3-[(4-methylphenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166224707
1-[(4-methylphenyl)methyl]-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 43917349
2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 109132206
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
1-N-(3,5-dimethylphenyl)-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135500

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109135486) is N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is Cc1ccc(CNC(=O)C2CC2C(=O)N2CCCC(C)C2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is OQBAKAZHTIKZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-13-5-7-15(8-6-13)11-20-18(22)16-10-17(16)19(23)21-9-3-4-14(2)12-21/h5-8,14,16-17H,3-4,9-12H2,1-2H3,(H,20,22).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109135486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).