N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide

C16H29N3O2 — CID 110810633

IUPACN-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
SMILESCC(C)CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-13(2)12-15(20)18-8-10-19(11-9-18)16(21)17-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,17,21)
InChIKeyZWBRUXZFMWUBNQ-UHFFFAOYSA-N
MW295.43 g/mol
LogP2.22
Rot. Bonds3

About N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide

N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide (PubChem CID 110810633) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
PubChem CID110810633
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
SMILESCC(C)CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-13(2)12-15(20)18-8-10-19(11-9-18)16(21)17-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,17,21)
InChIKeyZWBRUXZFMWUBNQ-UHFFFAOYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
CID 119727435
N-cyclohexyl-4-[3-(4-fluorophenyl)butanoyl]piperazine-1-carboxamide
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N-cyclohexyl-4-(1-hydroxypropan-2-ylamino)piperidine-1-carboxamide
CID 50977190
1-(4-cycloheptylpiperazin-1-yl)-3-methylbutan-1-one
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N-cycloheptyl-4-ethylpiperazine-1-carboxamide
CID 108988502
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclohexyl-4-propan-2-ylazepane-1-carboxamide
CID 115629287
N-cyclohexyl-4-(2-ethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 110811406
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
1-[4-(cyclopentanecarbonyl)-1,4-diazepan-1-yl]-3-methylbutan-1-one
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide (CID 110810633) is N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide is CC(C)CC(=O)N1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide?
The InChIKey is ZWBRUXZFMWUBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13(2)12-15(20)18-8-10-19(11-9-18)16(21)17-14-6-4-3-5-7-14/h13-14H,3-12H2,1-2H3,(H,17,21).
What are the key properties of N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide?
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide is sourced from PubChem (CID 110810633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).