2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile

C18H23N3O3S — CID 8868910

IUPAC2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H23N3O3S/c19-14-16-6-2-3-7-17(16)25(23,24)21-12-8-15(9-13-21)18(22)20-10-4-1-5-11-20/h2-3,6-7,15H,1,4-5,8-13H2
InChIKeyCENLUEGHIDHPQZ-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.97
Rot. Bonds3

About 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile

2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile (PubChem CID 8868910) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
PubChem CID8868910
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H23N3O3S/c19-14-16-6-2-3-7-17(16)25(23,24)21-12-8-15(9-13-21)18(22)20-10-4-1-5-11-20/h2-3,6-7,15H,1,4-5,8-13H2
InChIKeyCENLUEGHIDHPQZ-UHFFFAOYSA-N
XLogP1.97
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile
CID 24599092
2-[4-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 55630194
4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
CID 175456558
2-cyano-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzenesulfonamide
CID 110822198
1-(2-cyanophenyl)sulfonyl-N-(2,6-difluorophenyl)piperidine-4-carboxamide
CID 55414122
1-(2-cyanophenyl)sulfonyl-N-(4-methylsulfanylphenyl)piperidine-4-carboxamide
CID 9180398
2-[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylbenzonitrile
CID 103834546
2-[4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile
CID 55671661
4-[4-[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720984
2-[(4-propanoyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile
CID 110796557
1-(2-cyanophenyl)sulfonyl-N-(3-cyclohexyloxypropyl)piperidine-4-carboxamide
CID 24504654
2-[4-(1H-indole-3-carbonyl)piperidin-1-yl]sulfonylbenzonitrile
CID 110643547

Frequently Asked Questions

What is the IUPAC name of 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile (CID 8868910) is 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile is N#Cc1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile?
The InChIKey is CENLUEGHIDHPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c19-14-16-6-2-3-7-17(16)25(23,24)21-12-8-15(9-13-21)18(22)20-10-4-1-5-11-20/h2-3,6-7,15H,1,4-5,8-13H2.
What are the key properties of 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile?
2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile has a molecular weight of 361.47 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 8868910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).