1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile

C18H23N3O4S — CID 49064589

IUPAC1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile
SMILESCc1ccc(C(=O)N2CCC(C#N)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H23N3O4S/c1-14-2-3-16(18(22)20-6-4-15(13-19)5-7-20)12-17(14)26(23,24)21-8-10-25-11-9-21/h2-3,12,15H,4-11H2,1H3
InChIKeyJCNTXSWAHIROQE-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.39
Rot. Bonds3

About 1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile

1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile (PubChem CID 49064589) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is 1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile
PubChem CID49064589
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile
SMILESCc1ccc(C(=O)N2CCC(C#N)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C18H23N3O4S/c1-14-2-3-16(18(22)20-6-4-15(13-19)5-7-20)12-17(14)26(23,24)21-8-10-25-11-9-21/h2-3,12,15H,4-11H2,1H3
InChIKeyJCNTXSWAHIROQE-UHFFFAOYSA-N
XLogP1.39
TPSA90.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 3668064
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942
(4-benzylpiperazin-4-ium-1-yl)-(4-methyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 2496345
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 119563638
(4-chloro-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 1087746
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353985
1-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carbonitrile
CID 49064132
N,N-diethyl-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26583598
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 95285624
2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119213875
N-[2-(aminomethyl)cyclopentyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119604828

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile (CID 49064589) is 1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile is Cc1ccc(C(=O)N2CCC(C#N)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile?
The InChIKey is JCNTXSWAHIROQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-14-2-3-16(18(22)20-6-4-15(13-19)5-7-20)12-17(14)26(23,24)21-8-10-25-11-9-21/h2-3,12,15H,4-11H2,1H3.
What are the key properties of 1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile?
1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile has a molecular weight of 377.47 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)piperidine-4-carbonitrile is sourced from PubChem (CID 49064589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).