(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide

C18H25N3O2 — CID 94161618

IUPAC(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C18H25N3O2/c1-12-4-3-9-21(11-12)18(23)20-16-10-14(6-5-13(16)2)17(22)19-15-7-8-15/h5-6,10,12,15H,3-4,7-9,11H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyWTOUGZCJWSYTMN-GFCCVEGCSA-N
MW315.42 g/mol
LogP3.15
Rot. Bonds3

About (3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide

(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide (PubChem CID 94161618) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
PubChem CID94161618
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide
SMILESCc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC[C@@H](C)C1
InChIInChI=1S/C18H25N3O2/c1-12-4-3-9-21(11-12)18(23)20-16-10-14(6-5-13(16)2)17(22)19-15-7-8-15/h5-6,10,12,15H,3-4,7-9,11H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1
InChIKeyWTOUGZCJWSYTMN-GFCCVEGCSA-N
XLogP3.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]morpholine-4-carboxamide
CID 51081890
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
N-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109050747
N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 56796327
3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
(3S)-N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 124606170
N-(5-carbamoyl-2-methylphenyl)-3-methoxypiperidine-1-carboxamide
CID 118788092
3-(hydroxymethyl)-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 86994889
N-cyclopropyl-4-methyl-3-[(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 47047657
2-methyl-5-[(3-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 63652481

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide (CID 94161618) is (3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide is Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC[C@@H](C)C1.
What is the InChIKey of (3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is WTOUGZCJWSYTMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-4-3-9-21(11-12)18(23)20-16-10-14(6-5-13(16)2)17(22)19-15-7-8-15/h5-6,10,12,15H,3-4,7-9,11H2,1-2H3,(H,19,22)(H,20,23)/t12-/m1/s1.
What are the key properties of (3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide?
(3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 94161618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).