N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide

C16H22N4O — CID 113104404

IUPACN-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2cccc(C#N)c2)CC1
InChIInChI=1S/C16H22N4O/c1-3-13(2)18-16(21)20-9-7-19(8-10-20)15-6-4-5-14(11-15)12-17/h4-6,11,13H,3,7-10H2,1-2H3,(H,18,21)
InChIKeyHINLMFOMHWQZHK-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.19
Rot. Bonds3

About N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide

N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide (PubChem CID 113104404) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
PubChem CID113104404
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
SMILESCCC(C)NC(=O)N1CCN(c2cccc(C#N)c2)CC1
InChIInChI=1S/C16H22N4O/c1-3-13(2)18-16(21)20-9-7-19(8-10-20)15-6-4-5-14(11-15)12-17/h4-6,11,13H,3,7-10H2,1-2H3,(H,18,21)
InChIKeyHINLMFOMHWQZHK-UHFFFAOYSA-N
XLogP2.19
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-acetamidophenyl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104364
methyl 3-[4-(butan-2-ylcarbamoyl)piperazin-1-yl]benzoate
CID 113104367
4-(3-cyanophenyl)-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 113112068
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108801
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
4-(1,3-benzodioxol-5-yl)-N-butan-2-ylpiperazine-1-carboxamide
CID 113104385
3-(4-ethylpiperazin-1-yl)benzonitrile
CID 83779762
4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113114880
N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113104407

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide (CID 113104404) is N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide is CCC(C)NC(=O)N1CCN(c2cccc(C#N)c2)CC1.
What is the InChIKey of N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is HINLMFOMHWQZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-13(2)18-16(21)20-9-7-19(8-10-20)15-6-4-5-14(11-15)12-17/h4-6,11,13H,3,7-10H2,1-2H3,(H,18,21).
What are the key properties of N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide?
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).