4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide

C15H26N4O — CID 60681900

IUPAC4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide
SMILESCC(C)(C#N)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C15H26N4O/c1-15(2,12-16)19-10-8-18(9-11-19)14(20)17-13-6-4-3-5-7-13/h13H,3-11H2,1-2H3,(H,17,20)
InChIKeyYKUDSZBINZHWDV-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.95
Rot. Bonds2

About 4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide

4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 60681900) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide
PubChem CID60681900
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide
SMILESCC(C)(C#N)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C15H26N4O/c1-15(2,12-16)19-10-8-18(9-11-19)14(20)17-13-6-4-3-5-7-13/h13H,3-11H2,1-2H3,(H,17,20)
InChIKeyYKUDSZBINZHWDV-UHFFFAOYSA-N
XLogP1.95
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptylpiperidine-1-carboxamide
CID 54054704
4-(1-amino-2-methylpropan-2-yl)-N-cyclobutylpiperazine-1-carboxamide
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4-(2-amino-2-methylpropyl)-N-cyclohexylpiperazine-1-carboxamide
CID 120847763
N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
N-cyclopentyl-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
CID 78924950
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
3-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 55201788
N-cyclohexyl-4-methylsulfinylpiperazine-1-carboxamide;ethane
CID 156836966
4-acetamido-N-cyclopentylpiperidine-1-carboxamide
CID 49468459
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
CID 110810633
(3S,5S)-N-cyclohexyl-3,5-dimethylpiperidine-1-carboxamide
CID 1332142
(3R)-N-cyclohexyl-3-methylpyrrolidine-1-carboxamide
CID 66581198

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide (CID 60681900) is 4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide is CC(C)(C#N)N1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is YKUDSZBINZHWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,12-16)19-10-8-18(9-11-19)14(20)17-13-6-4-3-5-7-13/h13H,3-11H2,1-2H3,(H,17,20).
What are the key properties of 4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide?
4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyanopropan-2-yl)-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 60681900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).