N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide

C17H27N3O — CID 113104332

IUPACN-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2cc(C)ccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-5-15(4)18-17(21)20-10-8-19(9-11-20)16-12-13(2)6-7-14(16)3/h6-7,12,15H,5,8-11H2,1-4H3,(H,18,21)
InChIKeyGVOXLYHQFBCSJV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.93
Rot. Bonds3

About N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide

N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113104332) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113104332
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2cc(C)ccc2C)CC1
InChIInChI=1S/C17H27N3O/c1-5-15(4)18-17(21)20-10-8-19(9-11-20)16-12-13(2)6-7-14(16)3/h6-7,12,15H,5,8-11H2,1-4H3,(H,18,21)
InChIKeyGVOXLYHQFBCSJV-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-4-(5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 51386952
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110710
3-[[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 131935496
4-(5-chloro-2-methylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 17424002
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
ethyl 4-[[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 4995038
4-(2,4-dimethylphenyl)-N-ethylpiperazine-1-carboxamide
CID 3746757
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 113075462
4-(2,5-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111533
N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17171501
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442534

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide (CID 113104332) is N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide is CCC(C)NC(=O)N1CCN(c2cc(C)ccc2C)CC1.
What is the InChIKey of N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is GVOXLYHQFBCSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-5-15(4)18-17(21)20-10-8-19(9-11-20)16-12-13(2)6-7-14(16)3/h6-7,12,15H,5,8-11H2,1-4H3,(H,18,21).
What are the key properties of N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).