1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone

C22H24N2O5 — CID 2474540

IUPAC1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)o2)cc1
InChIInChI=1S/C22H24N2O5/c1-15(25)16-4-6-17(7-5-16)18-8-9-20(29-18)22(27)24-12-10-23(11-13-24)21(26)19-3-2-14-28-19/h4-9,19H,2-3,10-14H2,1H3/t19-/m0/s1
InChIKeyLZHBPURSDZACFQ-IBGZPJMESA-N
MW396.44 g/mol
LogP2.61
Rot. Bonds4

About 1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone

1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone (PubChem CID 2474540) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone
PubChem CID2474540
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)o2)cc1
InChIInChI=1S/C22H24N2O5/c1-15(25)16-4-6-17(7-5-16)18-8-9-20(29-18)22(27)24-12-10-23(11-13-24)21(26)19-3-2-14-28-19/h4-9,19H,2-3,10-14H2,1H3/t19-/m0/s1
InChIKeyLZHBPURSDZACFQ-IBGZPJMESA-N
XLogP2.61
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone with MolForge

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Related Compounds

oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 119267990
[4-[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55666666
[4-[4-(2-methoxypyrimidin-5-yl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274684
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 166208842
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247014
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971292
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
[4-[4-(2,5-dimethylpyrrol-1-yl)benzoyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 4878720
2-[4-[5-(4-acetylphenyl)furan-2-carbonyl]piperazin-1-yl]-N-benzylacetamide
CID 16603865
[4-(5-methyl-1,3,4-oxadiazole-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110395983

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone (CID 2474540) is 1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone is CC(=O)c1ccc(-c2ccc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)o2)cc1.
What is the InChIKey of 1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone?
The InChIKey is LZHBPURSDZACFQ-IBGZPJMESA-N. The full InChI is InChI=1S/C22H24N2O5/c1-15(25)16-4-6-17(7-5-16)18-8-9-20(29-18)22(27)24-12-10-23(11-13-24)21(26)19-3-2-14-28-19/h4-9,19H,2-3,10-14H2,1H3/t19-/m0/s1.
What are the key properties of 1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone?
1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone has a molecular weight of 396.44 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[4-[(2S)-oxolane-2-carbonyl]piperazine-1-carbonyl]furan-2-yl]phenyl]ethanone is sourced from PubChem (CID 2474540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).