1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile

C19H25N3O3S — CID 49064132

IUPAC1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC(C#N)CC3)cc2)CC1
InChIInChI=1S/C19H25N3O3S/c1-15-6-12-22(13-7-15)26(24,25)18-4-2-17(3-5-18)19(23)21-10-8-16(14-20)9-11-21/h2-5,15-16H,6-13H2,1H3
InChIKeyWDUDRHXCLPBVGP-UHFFFAOYSA-N
MW375.49 g/mol
LogP2.48
Rot. Bonds3

About 1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile

1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile (PubChem CID 49064132) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is 1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile
PubChem CID49064132
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC Name1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile
SMILESCC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC(C#N)CC3)cc2)CC1
InChIInChI=1S/C19H25N3O3S/c1-15-6-12-22(13-7-15)26(24,25)18-4-2-17(3-5-18)19(23)21-10-8-16(14-20)9-11-21/h2-5,15-16H,6-13H2,1H3
InChIKeyWDUDRHXCLPBVGP-UHFFFAOYSA-N
XLogP2.48
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-(4-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 30453081
[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 24542893
4-(4-cyanopiperidine-1-carbonyl)-N,N-diethylbenzenesulfonamide
CID 49064767
[4-(4-chlorophenyl)piperazin-1-yl]-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 52724326
[4-(difluoromethylsulfonyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 78768168
(3-aminopiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]methanone;hydrochloride
CID 119377173
[4-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 43920450
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methanone
CID 92673416
(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90585194
2-cyano-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 168523258
1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile
CID 49064589

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile (CID 49064132) is 1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile is CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC(C#N)CC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile?
The InChIKey is WDUDRHXCLPBVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-15-6-12-22(13-7-15)26(24,25)18-4-2-17(3-5-18)19(23)21-10-8-16(14-20)9-11-21/h2-5,15-16H,6-13H2,1H3.
What are the key properties of 1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile?
1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile has a molecular weight of 375.49 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile is sourced from PubChem (CID 49064132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).