1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea

C20H31N3O3S — CID 10111188

IUPAC1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
SMILESCN(C(=O)NC1CCC(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H31N3O3S/c1-22(19-12-14-23(15-13-19)27(2,25)26)20(24)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-19H,8-15H2,1-2H3,(H,21,24)
InChIKeyUKTYHCYZFWBGRW-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.78
Rot. Bonds4

About 1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea

1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea (PubChem CID 10111188) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea.

Molecular Properties

Compound Name1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
PubChem CID10111188
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea
SMILESCN(C(=O)NC1CCC(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C20H31N3O3S/c1-22(19-12-14-23(15-13-19)27(2,25)26)20(24)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-19H,8-15H2,1-2H3,(H,21,24)
InChIKeyUKTYHCYZFWBGRW-UHFFFAOYSA-N
XLogP2.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-(1-ethylsulfonylpiperidin-4-yl)-1-methylurea
CID 10203845
N-[(2R,3S)-2,3-diphenylcyclopropyl]piperidine-1-carboxamide
CID 118728606
(3R)-N-[(2S,3R)-2,3-diphenylcyclopropyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 118728608
1-[1-[4-[Benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-3-methyl-urea
CID 478439
1-(1-Acetylpiperidin-4-yl)-1-methyl-3-(4-phenylcyclohexyl)urea
CID 10155286
3-[4-(3,5-Difluorophenyl)cyclohexyl]-1-methyl-1-(1-methylsulfonylpiperidin-4-yl)urea
CID 10159722
1-(1-Acetylpiperidin-4-yl)-3-[4-(3,5-difluorophenyl)cyclohexyl]-1-methylurea
CID 10293988
1-Cyclohexyl-3-{3-[4-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393436
Benzenesulfonamide, N-[4-[4-[ethyl[(methylamino)carbonyl]amino]-1-piperidinyl]-2-phenylbutyl]-N-methyl-
CID 486608
1-Cyclohexyl-3-(1-phenylmethanesulfonyl-piperidin-4-yl)-urea
CID 645563
3-{[(benzylsulfonyl)amino]methyl}-N-(2-phenylethyl)piperidine-1-carboxamide
CID 16189502
N'-Cyclohexyl-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylurea
CID 44392211

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea?
The IUPAC name of 1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea (CID 10111188) is 1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea.
What is the SMILES notation for 1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea?
The canonical SMILES for 1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea is CN(C(=O)NC1CCC(c2ccccc2)CC1)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of 1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea?
The InChIKey is UKTYHCYZFWBGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-22(19-12-14-23(15-13-19)27(2,25)26)20(24)21-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-7,17-19H,8-15H2,1-2H3,(H,21,24).
What are the key properties of 1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea?
1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea has a molecular weight of 393.55 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(1-methylsulfonylpiperidin-4-yl)-3-(4-phenylcyclohexyl)urea is sourced from PubChem (CID 10111188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).