tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate

C18H32N2O3 — CID 11695522

IUPACtert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O3/c1-18(2,3)23-17(22)20-13-11-19(12-14-20)16(21)10-9-15-7-5-4-6-8-15/h15H,4-14H2,1-3H3
InChIKeyWZTZWDCKTJFWSA-UHFFFAOYSA-N
MW324.46 g/mol
LogP3.43
Rot. Bonds3

About tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate

tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate (PubChem CID 11695522) has the molecular formula C18H32N2O3 and a molecular weight of 324.46 g/mol. Its IUPAC name is tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate
PubChem CID11695522
Molecular FormulaC18H32N2O3
Molecular Weight324.46 g/mol
Exact Mass324.24
IUPAC Nametert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H32N2O3/c1-18(2,3)23-17(22)20-13-11-19(12-14-20)16(21)10-9-15-7-5-4-6-8-15/h15H,4-14H2,1-3H3
InChIKeyWZTZWDCKTJFWSA-UHFFFAOYSA-N
XLogP3.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.46
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-(cyclohexylcarbonyl)piperazinecarboxylate
CID 750615
Ethyl 4-(3-cyclopentylpropanoyl)-1-piperazinecarboxylate
CID 976235
3-Cyclohexyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 4432326
2-Cyclohexyl-1-(4-ethylpiperazin-1-yl)ethanone
CID 36054272
Ethyl 4-(4-cyclohexylbutanoyl)piperazine-1-carboxylate
CID 8195281
4-(Cyclohexylcarbonyl)-1-piperazinecarboxylic acid 1,1-dimethylethyl ester
CID 67332466
1-[4-(2-Cyclohexylacetyl)piperazin-1-yl]propan-1-one
CID 53544408
4-[1-(Tert-butoxycarbonyl)-4-piperidyl]-2-{2-[1-(tert-butoxycarbonyl)-4-piperidyl]ethyl}butanoyl fluoride
CID 18330089
tert-butyl (3S)-4-(4,4-difluorocyclohexanecarbonyl)-3-methylpiperazine-1-carboxylate
CID 57657622
Tert-butyl 4-(4,4-difluorocyclohexanecarbonyl)-3-methylpiperazine-1-carboxylate
CID 68937934
(R)-tert-butyl 4-(4,4-difluorocyclohexanecarbonyl)-3-methylpiperazine-1-carboxylate
CID 68937938
Tert-butyl 4-(4,4-difluorocyclohexanecarbonyl)piperazine-1-carboxylate
CID 143777488

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate (CID 11695522) is tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate?
The InChIKey is WZTZWDCKTJFWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-18(2,3)23-17(22)20-13-11-19(12-14-20)16(21)10-9-15-7-5-4-6-8-15/h15H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate?
tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate has a molecular weight of 324.46 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-cyclohexylpropanoyl)piperazine-1-carboxylate is sourced from PubChem (CID 11695522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).