furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone

C15H24N2O3 — CID 95344609

IUPACfuran-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
SMILESCC(C)(C)[C@@H](O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13(18)11-16-6-8-17(9-7-16)14(19)12-5-4-10-20-12/h4-5,10,13,18H,6-9,11H2,1-3H3/t13-/m0/s1
InChIKeyKHADNPAUHIKSMN-ZDUSSCGKSA-N
MW280.37 g/mol
LogP1.44
Rot. Bonds3

About furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone (PubChem CID 95344609) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
PubChem CID95344609
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Namefuran-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone
SMILESCC(C)(C)[C@@H](O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H24N2O3/c1-15(2,3)13(18)11-16-6-8-17(9-7-16)14(19)12-5-4-10-20-12/h4-5,10,13,18H,6-9,11H2,1-3H3/t13-/m0/s1
InChIKeyKHADNPAUHIKSMN-ZDUSSCGKSA-N
XLogP1.44
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

furan-2-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 21026314
[4-[(2S)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 95347650
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71096247
N-tert-butyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 26495641
[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46445280
[4-[2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 110887602
4-[4-(furan-2-carbonyl)piperazin-1-yl]butan-2-one
CID 82131455
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
[4-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 110897183
[4-[(2S)-3-[bis(4-chlorophenyl)methoxy]-2-hydroxypropyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 25359245
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone (CID 95344609) is furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone is CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone?
The InChIKey is KHADNPAUHIKSMN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-15(2,3)13(18)11-16-6-8-17(9-7-16)14(19)12-5-4-10-20-12/h4-5,10,13,18H,6-9,11H2,1-3H3/t13-/m0/s1.
What are the key properties of furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone has a molecular weight of 280.37 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]methanone is sourced from PubChem (CID 95344609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).