1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

C24H29N3O5S — CID 25162504

IUPAC1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C24H29N3O5S/c1-18-4-2-3-5-22(18)24(29)26-12-10-19(11-13-26)23(28)25-20-6-8-21(9-7-20)33(30,31)27-14-16-32-17-15-27/h2-9,19H,10-17H2,1H3,(H,25,28)
InChIKeyFARPRHRHQKKTTA-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.51
Rot. Bonds5

About 1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide

1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (PubChem CID 25162504) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
PubChem CID25162504
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
InChIInChI=1S/C24H29N3O5S/c1-18-4-2-3-5-22(18)24(29)26-12-10-19(11-13-26)23(28)25-20-6-8-21(9-7-20)33(30,31)27-14-16-32-17-15-27/h2-9,19H,10-17H2,1H3,(H,25,28)
InChIKeyFARPRHRHQKKTTA-UHFFFAOYSA-N
XLogP2.51
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152446
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 1072840
N-(4-piperidin-1-ylsulfonylphenyl)oxane-4-carboxamide
CID 31962865
1-(2-chlorobenzoyl)-N-[4-(dipropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223467
1-(2-chlorobenzoyl)-N-[4-(dibutylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 17223474
N-[2-(azepane-1-carbonyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100648831
1-(4-methylphenyl)sulfonyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 26905327
N-(4-anilinophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46652612
1-(furan-2-carbonyl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-4-carboxamide
CID 6497485
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-methylbenzamide
CID 1010223
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide (CID 25162504) is 1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
The InChIKey is FARPRHRHQKKTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-18-4-2-3-5-22(18)24(29)26-12-10-19(11-13-26)23(28)25-20-6-8-21(9-7-20)33(30,31)27-14-16-32-17-15-27/h2-9,19H,10-17H2,1H3,(H,25,28).
What are the key properties of 1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide?
1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzoyl)-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 25162504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).