N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide

C25H39N3O3S — CID 60604552

IUPACN-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCC1CCC(N2CCC(N(C)C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)CC1
InChIInChI=1S/C25H39N3O3S/c1-20-9-11-23(12-10-20)27-17-13-22(14-18-27)26(2)25(29)21-7-6-8-24(19-21)32(30,31)28-15-4-3-5-16-28/h6-8,19-20,22-23H,3-5,9-18H2,1-2H3
InChIKeyATTCYBKNULWRMD-UHFFFAOYSA-N
MW461.67 g/mol
LogP3.98
Rot. Bonds5

About N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide

N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 60604552) has the molecular formula C25H39N3O3S and a molecular weight of 461.67 g/mol. Its IUPAC name is N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID60604552
Molecular FormulaC25H39N3O3S
Molecular Weight461.67 g/mol
Exact Mass461.27
IUPAC NameN-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide
SMILESCC1CCC(N2CCC(N(C)C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)CC1
InChIInChI=1S/C25H39N3O3S/c1-20-9-11-23(12-10-20)27-17-13-22(14-18-27)26(2)25(29)21-7-6-8-24(19-21)32(30,31)28-15-4-3-5-16-28/h6-8,19-20,22-23H,3-5,9-18H2,1-2H3
InChIKeyATTCYBKNULWRMD-UHFFFAOYSA-N
XLogP3.98
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.67
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17465764
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7260123
N-cyclooctyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 60610211
N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 55372562
3-(azepan-1-ylsulfonyl)-N-(cyclohexylmethyl)-N-methylbenzamide
CID 36553254
[3-(azepan-1-ylsulfonyl)phenyl]-cyclopropylmethanone
CID 39442346
N-[(3-fluorophenyl)methyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27827308
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 9226975
3-[cyclohexyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 110823497
2-[[3-(azepan-1-ylsulfonyl)benzoyl]-propylamino]acetic acid
CID 119205568
N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 55362996
[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 60559117

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide (CID 60604552) is N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide is CC1CCC(N2CCC(N(C)C(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CC2)CC1.
What is the InChIKey of N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is ATTCYBKNULWRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3S/c1-20-9-11-23(12-10-20)27-17-13-22(14-18-27)26(2)25(29)21-7-6-8-24(19-21)32(30,31)28-15-4-3-5-16-28/h6-8,19-20,22-23H,3-5,9-18H2,1-2H3.
What are the key properties of N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide?
N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 461.67 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(4-methylcyclohexyl)piperidin-4-yl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 60604552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).