1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one

C14H20N2O3 — CID 694979

IUPAC1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H20N2O3/c1-11(2)10-13(17)15-5-7-16(8-6-15)14(18)12-4-3-9-19-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyBVRKQKATEGHFQQ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.61
Rot. Bonds3

About 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 694979) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID694979
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H20N2O3/c1-11(2)10-13(17)15-5-7-16(8-6-15)14(18)12-4-3-9-19-12/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyBVRKQKATEGHFQQ-UHFFFAOYSA-N
XLogP1.61
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
N-benzylfuran-2-carboxamide
CID 347531
N-(2-Furoyl)glycine methyl ester
CID 518748
(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-methylbutanoyl]-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 11475093
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 162515877
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
(4-Benzenesulfonyl-piperazin-1-yl)-furan-2-yl-methanone
CID 719657
N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-2-furamide
CID 723466
1-[4-(2-Furoyl)piperazin-1-yl]-2-(4-methoxyphenoxy)ethanone
CID 750519
1-[(2,2-Dibromo-1-methylcyclopropyl)carbonyl]-4-(2-furoyl)piperazine
CID 3440389

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one (CID 694979) is 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is BVRKQKATEGHFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11(2)10-13(17)15-5-7-16(8-6-15)14(18)12-4-3-9-19-12/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 264.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 694979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).