[1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

C26H31FN4O3S — CID 20966171

IUPAC[1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)ccc21
InChIInChI=1S/C26H31FN4O3S/c1-2-28-12-9-21-19-22(7-8-24(21)28)35(33,34)31-13-10-20(11-14-31)26(32)30-17-15-29(16-18-30)25-6-4-3-5-23(25)27/h3-9,12,19-20H,2,10-11,13-18H2,1H3
InChIKeyYGPLUNBJDCSHQO-UHFFFAOYSA-N
MW498.62 g/mol
LogP3.55
Rot. Bonds5

About [1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone

[1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 20966171) has the molecular formula C26H31FN4O3S and a molecular weight of 498.62 g/mol. Its IUPAC name is [1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
PubChem CID20966171
Molecular FormulaC26H31FN4O3S
Molecular Weight498.62 g/mol
Exact Mass498.21
IUPAC Name[1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
SMILESCCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)ccc21
InChIInChI=1S/C26H31FN4O3S/c1-2-28-12-9-21-19-22(7-8-24(21)28)35(33,34)31-13-10-20(11-14-31)26(32)30-17-15-29(16-18-30)25-6-4-3-5-23(25)27/h3-9,12,19-20H,2,10-11,13-18H2,1H3
InChIKeyYGPLUNBJDCSHQO-UHFFFAOYSA-N
XLogP3.55
TPSA65.86 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.62
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2059106
1-(1-ethylindol-5-yl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 20966183
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 26534447
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 93306232
4-(1-ethylindol-5-yl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carboxamide
CID 20966680
1-(1-ethylindol-5-yl)sulfonyl-N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 20966208
1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 20966193
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3R)-1-(1-ethylindol-5-yl)sulfonylpiperidin-3-yl]methanone
CID 92502198
[(3S)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 126396443
[4-(2-fluorophenyl)piperazin-1-yl]-[(3R)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]methanone
CID 1445943
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 41302616

Frequently Asked Questions

What is the IUPAC name of [1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone (CID 20966171) is [1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is CCn1ccc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5F)CC4)CC3)ccc21.
What is the InChIKey of [1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is YGPLUNBJDCSHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3S/c1-2-28-12-9-21-19-22(7-8-24(21)28)35(33,34)31-13-10-20(11-14-31)26(32)30-17-15-29(16-18-30)25-6-4-3-5-23(25)27/h3-9,12,19-20H,2,10-11,13-18H2,1H3.
What are the key properties of [1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone?
[1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 498.62 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethylindol-5-yl)sulfonylpiperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 20966171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).