4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide

C16H25N3O — CID 113104196

IUPAC4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCCC(C)N1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-4-14(3)18-9-11-19(12-10-18)16(20)17-15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3,(H,17,20)
InChIKeyCJYRXBLXZKGVPA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.94
Rot. Bonds3

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

4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 113104196) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID113104196
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCCC(C)N1CCN(C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N3O/c1-4-14(3)18-9-11-19(12-10-18)16(20)17-15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3,(H,17,20)
InChIKeyCJYRXBLXZKGVPA-UHFFFAOYSA-N
XLogP2.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113104199
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(3-acetamidophenyl)-4-butan-2-ylpiperazine-1-carboxamide
CID 113104244
4-butan-2-yl-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113104260
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
2-methyl-3-[4-[(4-methylphenyl)carbamoyl]piperazin-1-yl]-3-oxopropanoic acid
CID 122066142
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-heptan-2-yl-N-phenylpiperazine-1-carboxamide
CID 110174858
4-cyclopropylidene-N-(4-methylphenyl)piperidine-1-carboxamide
CID 121187165
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
1-[4-[(2R)-butan-2-yl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 806922

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide (CID 113104196) is 4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide is CCC(C)N1CCN(C(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is CJYRXBLXZKGVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-14(3)18-9-11-19(12-10-18)16(20)17-15-7-5-13(2)6-8-15/h5-8,14H,4,9-12H2,1-3H3,(H,17,20).
What are the key properties of 4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide?
4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).