[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C20H27N5O5S — CID 19585634

IUPAC[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1c(S(=O)(=O)N2CCCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cnn1C
InChIInChI=1S/C20H27N5O5S/c1-15-18(13-21-22(15)2)31(28,29)25-7-3-5-16(14-25)19(26)23-8-10-24(11-9-23)20(27)17-6-4-12-30-17/h4,6,12-13,16H,3,5,7-11,14H2,1-2H3
InChIKeyXQEJYTJRHZRJHJ-UHFFFAOYSA-N
MW449.53 g/mol
LogP0.71
Rot. Bonds4

About [1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 19585634) has the molecular formula C20H27N5O5S and a molecular weight of 449.53 g/mol. Its IUPAC name is [1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID19585634
Molecular FormulaC20H27N5O5S
Molecular Weight449.53 g/mol
Exact Mass449.17
IUPAC Name[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESCc1c(S(=O)(=O)N2CCCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cnn1C
InChIInChI=1S/C20H27N5O5S/c1-15-18(13-21-22(15)2)31(28,29)25-7-3-5-16(14-25)19(26)23-8-10-24(11-9-23)20(27)17-6-4-12-30-17/h4,6,12-13,16H,3,5,7-11,14H2,1-2H3
InChIKeyXQEJYTJRHZRJHJ-UHFFFAOYSA-N
XLogP0.71
TPSA108.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 19583408
[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 40653181
[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51618591
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938393
(3S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32626209
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 3238897
(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51388846
(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 51388637
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772856
(4-tert-butylcyclohexyl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 35523855

Frequently Asked Questions

What is the IUPAC name of [1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 19585634) is [1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is Cc1c(S(=O)(=O)N2CCCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)cnn1C.
What is the InChIKey of [1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is XQEJYTJRHZRJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O5S/c1-15-18(13-21-22(15)2)31(28,29)25-7-3-5-16(14-25)19(26)23-8-10-24(11-9-23)20(27)17-6-4-12-30-17/h4,6,12-13,16H,3,5,7-11,14H2,1-2H3.
What are the key properties of [1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
[1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 449.53 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 19585634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).