N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide

C15H23N3O — CID 63104160

IUPACN-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CNCCN1
InChIInChI=1S/C15H23N3O/c1-10(2)12-6-4-5-11(3)14(12)18-15(19)13-9-16-7-8-17-13/h4-6,10,13,16-17H,7-9H2,1-3H3,(H,18,19)
InChIKeyAENWYXIKOXILOQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.62
Rot. Bonds3

About N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide

N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide (PubChem CID 63104160) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide
PubChem CID63104160
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)C1CNCCN1
InChIInChI=1S/C15H23N3O/c1-10(2)12-6-4-5-11(3)14(12)18-15(19)13-9-16-7-8-17-13/h4-6,10,13,16-17H,7-9H2,1-3H3,(H,18,19)
InChIKeyAENWYXIKOXILOQ-UHFFFAOYSA-N
XLogP1.62
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)piperidine-2-carboxamide
CID 10730082
N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263416
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
4-N-tert-butyl-1-N-(2-methyl-6-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149581
4-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672180
N-(2,4-dimethylphenyl)piperazine-2-carboxamide
CID 55178030
N-(4-acetamidophenyl)piperazine-2-carboxamide
CID 63103626
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2,6-dimethylphenyl)thiomorpholine-3-carboxamide
CID 82905655
N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
N-(2-methyl-6-propan-2-ylphenyl)azetidin-3-amine
CID 117027081
2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 5061547

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide (CID 63104160) is N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide is Cc1cccc(C(C)C)c1NC(=O)C1CNCCN1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide?
The InChIKey is AENWYXIKOXILOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10(2)12-6-4-5-11(3)14(12)18-15(19)13-9-16-7-8-17-13/h4-6,10,13,16-17H,7-9H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide?
N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 63104160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).