(4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone

C23H27N5O4S — CID 92889884

IUPAC(4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N5O4S/c29-23(27-15-13-26(14-16-27)19-6-2-1-3-7-19)18-5-4-12-28(17-18)33(30,31)22-9-8-21(32-22)20-10-11-24-25-20/h1-3,6-11,18H,4-5,12-17H2,(H,24,25)/t18-/m0/s1
InChIKeyODQSNKQRHRRZAF-SFHVURJKSA-N
MW469.57 g/mol
LogP2.42
Rot. Bonds5

About (4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone

(4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone (PubChem CID 92889884) has the molecular formula C23H27N5O4S and a molecular weight of 469.57 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
PubChem CID92889884
Molecular FormulaC23H27N5O4S
Molecular Weight469.57 g/mol
Exact Mass469.18
IUPAC Name(4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
SMILESO=C([C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N5O4S/c29-23(27-15-13-26(14-16-27)19-6-2-1-3-7-19)18-5-4-12-28(17-18)33(30,31)22-9-8-21(32-22)20-10-11-24-25-20/h1-3,6-11,18H,4-5,12-17H2,(H,24,25)/t18-/m0/s1
InChIKeyODQSNKQRHRRZAF-SFHVURJKSA-N
XLogP2.42
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[(3R)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
CID 92889871
[4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone
CID 50786957
(3S)-N-[(1S)-1-phenylethyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889902
(3R)-N-cyclopentyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889865
(3S)-N-cycloheptyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889862
N,N-diethyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 50786944
(3S)-N-[(3-chlorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889958
(3R)-N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889855
(3R)-N-[(5-methylfuran-2-yl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889939
N-[(3,5-difluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 50787039
(3S)-N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-3-carboxamide
CID 92889948
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone (CID 92889884) is (4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone is O=C([C@H]1CCCN(S(=O)(=O)c2ccc(-c3ccn[nH]3)o2)C1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone?
The InChIKey is ODQSNKQRHRRZAF-SFHVURJKSA-N. The full InChI is InChI=1S/C23H27N5O4S/c29-23(27-15-13-26(14-16-27)19-6-2-1-3-7-19)18-5-4-12-28(17-18)33(30,31)22-9-8-21(32-22)20-10-11-24-25-20/h1-3,6-11,18H,4-5,12-17H2,(H,24,25)/t18-/m0/s1.
What are the key properties of (4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone?
(4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone has a molecular weight of 469.57 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone is sourced from PubChem (CID 92889884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).