4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide

C17H27N3O — CID 130320192

IUPAC4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCCC(C)(C)N1CCN(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C17H27N3O/c1-5-17(3,4)20-11-9-19(10-12-20)16(21)18-15-8-6-7-14(2)13-15/h6-8,13H,5,9-12H2,1-4H3,(H,18,21)
InChIKeyNUYYSVCOQSCDJH-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.33
Rot. Bonds3

About 4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide

4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 130320192) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID130320192
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide
SMILESCCC(C)(C)N1CCN(C(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C17H27N3O/c1-5-17(3,4)20-11-9-19(10-12-20)16(21)18-15-8-6-7-14(2)13-15/h6-8,13H,5,9-12H2,1-4H3,(H,18,21)
InChIKeyNUYYSVCOQSCDJH-UHFFFAOYSA-N
XLogP3.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
4-cyclopropylidene-N-(3-methylphenyl)piperidine-1-carboxamide
CID 121187164
4-[2-(4-chlorophenyl)-2-methylpropanoyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 56509937
3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]butanoic acid
CID 119958643
4-(3-aminobenzoyl)-N-(3-methylphenyl)piperazine-1-carboxamide;hydrochloride
CID 119765351
4-[(4-tert-butylphenyl)methyl]-N-(3-methylphenyl)-1,4-diazepane-1-carboxamide
CID 23818837
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
(3S,4R)-3,4-dihydroxy-N-(3-methylphenyl)pyrrolidine-1-carboxamide
CID 79411041
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide (CID 130320192) is 4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide is CCC(C)(C)N1CCN(C(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of 4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is NUYYSVCOQSCDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-17(3,4)20-11-9-19(10-12-20)16(21)18-15-8-6-7-14(2)13-15/h6-8,13H,5,9-12H2,1-4H3,(H,18,21).
What are the key properties of 4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide?
4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)-N-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 130320192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).