(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C20H30N2O3 — CID 35523855

IUPAC(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCC(C)(C)C1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)16-8-6-15(7-9-16)18(23)21-10-12-22(13-11-21)19(24)17-5-4-14-25-17/h4-5,14-16H,6-13H2,1-3H3
InChIKeyJAXDISDVGFCTOX-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.42
Rot. Bonds2

About (4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 35523855) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID35523855
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCC(C)(C)C1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)16-8-6-15(7-9-16)18(23)21-10-12-22(13-11-21)19(24)17-5-4-14-25-17/h4-5,14-16H,6-13H2,1-3H3
InChIKeyJAXDISDVGFCTOX-UHFFFAOYSA-N
XLogP3.42
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
[4-(4-tert-butylpiperidin-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 71907901
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
1-tert-butyl-4-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 17119108
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 55440443
azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587
tert-butyl 4-(furan-2-carbonyl)piperazine-1-carboxylate
CID 2980350
furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
CID 95344609
[4-(furan-2-carbonyl)piperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 3243073
N,N-diethyl-2-[4-[1-(furan-2-carbonyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55603086

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 35523855) is (4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is CC(C)(C)C1CCC(C(=O)N2CCN(C(=O)c3ccco3)CC2)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is JAXDISDVGFCTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,3)16-8-6-15(7-9-16)18(23)21-10-12-22(13-11-21)19(24)17-5-4-14-25-17/h4-5,14-16H,6-13H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 346.47 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 35523855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).