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

C24H29N5O4S — CID 50786957

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(-c5ccn[nH]5)o4)CC3)CC2)c1
InChIInChI=1S/C24H29N5O4S/c1-18-3-2-4-20(17-18)27-13-15-28(16-14-27)24(30)19-8-11-29(12-9-19)34(31,32)23-6-5-22(33-23)21-7-10-25-26-21/h2-7,10,17,19H,8-9,11-16H2,1H3,(H,25,26)
InChIKeyBENRDLZJUWNRRZ-UHFFFAOYSA-N
MW483.59 g/mol
LogP2.73
Rot. Bonds5

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

[4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone (PubChem CID 50786957) has the molecular formula C24H29N5O4S and a molecular weight of 483.59 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone
PubChem CID50786957
Molecular FormulaC24H29N5O4S
Molecular Weight483.59 g/mol
Exact Mass483.19
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(-c5ccn[nH]5)o4)CC3)CC2)c1
InChIInChI=1S/C24H29N5O4S/c1-18-3-2-4-20(17-18)27-13-15-28(16-14-27)24(30)19-8-11-29(12-9-19)34(31,32)23-6-5-22(33-23)21-7-10-25-26-21/h2-7,10,17,19H,8-9,11-16H2,1H3,(H,25,26)
InChIKeyBENRDLZJUWNRRZ-UHFFFAOYSA-N
XLogP2.73
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.59
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-phenylpiperazin-1-yl)-[(3S)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
CID 92889884
[4-(3-methylphenyl)piperazin-1-yl]-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24542911
N-[(2,5-dimethylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 50787093
azepan-1-yl-[(3R)-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-3-yl]methanone
CID 92889871
2-cyclopropyl-5-[5-[4-(3-methylphenyl)piperazin-1-yl]sulfonylfuran-2-yl]-1,3,4-oxadiazole
CID 53175610
N-[(4-methylphenyl)methyl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 50784607
N-cyclopentyl-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 50784767
N-[(2R)-butan-2-yl]-1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidine-4-carboxamide
CID 92889833
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 53166928
[4-(3-methylphenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 71794792
1-[3-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-1-yl]propan-1-one
CID 136516670

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone (CID 50786957) is [4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone is Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(-c5ccn[nH]5)o4)CC3)CC2)c1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone?
The InChIKey is BENRDLZJUWNRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4S/c1-18-3-2-4-20(17-18)27-13-15-28(16-14-27)24(30)19-8-11-29(12-9-19)34(31,32)23-6-5-22(33-23)21-7-10-25-26-21/h2-7,10,17,19H,8-9,11-16H2,1H3,(H,25,26).
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone has a molecular weight of 483.59 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[1-[5-(1H-pyrazol-5-yl)furan-2-yl]sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 50786957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).