N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

C19H26N2O2 — CID 109140395

IUPACN-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC2C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C19H26N2O2/c1-12-6-7-14(3)17(9-12)20-18(22)15-10-16(15)19(23)21-8-4-5-13(2)11-21/h6-7,9,13,15-16H,4-5,8,10-11H2,1-3H3,(H,20,22)
InChIKeyHHUQCSUBJVOOME-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.14
Rot. Bonds3

About N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide

N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 109140395) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID109140395
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2CC2C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C19H26N2O2/c1-12-6-7-14(3)17(9-12)20-18(22)15-10-16(15)19(23)21-8-4-5-13(2)11-21/h6-7,9,13,15-16H,4-5,8,10-11H2,1-3H3,(H,20,22)
InChIKeyHHUQCSUBJVOOME-UHFFFAOYSA-N
XLogP3.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-3-methylpiperidine-1-carbothioamide
CID 3478080
N-[(4-methylphenyl)methyl]-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135486
methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140447
N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131920
2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
CID 109140472
N-(4-ethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140401
1-N-butan-2-yl-2-N-(2,5-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109131692
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
2-(3-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140438
(3R)-1-(3,5-dimethylbenzoyl)-N-(2,5-dimethylphenyl)piperidine-3-carboxamide
CID 94082819
1-N-(2,5-dimethylphenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141010
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090374

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide (CID 109140395) is N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is Cc1ccc(C)c(NC(=O)C2CC2C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is HHUQCSUBJVOOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-12-6-7-14(3)17(9-12)20-18(22)15-10-16(15)19(23)21-8-4-5-13(2)11-21/h6-7,9,13,15-16H,4-5,8,10-11H2,1-3H3,(H,20,22).
What are the key properties of N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide?
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109140395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).