1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea

C20H37N3O — CID 143890167

IUPAC1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea
SMILESCNC(=O)N(C1CCCCC1)C1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C20H37N3O/c1-16-8-10-17(11-9-16)22-14-12-19(13-15-22)23(20(24)21-2)18-6-4-3-5-7-18/h16-19H,3-15H2,1-2H3,(H,21,24)
InChIKeyZEONFZJZIVCORP-UHFFFAOYSA-N
MW335.54 g/mol
LogP4.00
Rot. Bonds3

About 1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea

1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea (PubChem CID 143890167) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is 1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea
PubChem CID143890167
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea
SMILESCNC(=O)N(C1CCCCC1)C1CCN(C2CCC(C)CC2)CC1
InChIInChI=1S/C20H37N3O/c1-16-8-10-17(11-9-16)22-14-12-19(13-15-22)23(20(24)21-2)18-6-4-3-5-7-18/h16-19H,3-15H2,1-2H3,(H,21,24)
InChIKeyZEONFZJZIVCORP-UHFFFAOYSA-N
XLogP4.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-4-(4-methylpiperidin-1-yl)piperidine
CID 1121684
1-[1-(4-methylcyclohexyl)piperidin-4-yl]ethanone
CID 64750444
N-cyclohexyl-2-hydroxy-N-[1-(3-methylcyclobutyl)piperidin-4-yl]acetamide;methoxyethane
CID 143890152
1-cyclohexyl-1-cyclopropyl-3-propylurea
CID 110874883
[4-(4-methylcyclohexyl)piperazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 177135013
1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea
CID 70308947
1,1-dicyclohexyl-3-cyclopropylurea
CID 116653816
4-methyl-1-(4-methylcycloheptyl)piperidine-4-carboxylic acid
CID 65082997
1-cyclobutyl-1,3-dimethylurea
CID 66861755
3-cyclohexyl-1-cyclopropyl-1-(1-methylpiperidin-4-yl)urea
CID 110874782
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 177134556
ethane;[4-(4-methylcyclohexyl)piperazin-1-yl]-[(3S)-3-methylpyrrolidin-1-yl]methanone
CID 177134757

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea (CID 143890167) is 1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea is CNC(=O)N(C1CCCCC1)C1CCN(C2CCC(C)CC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea?
The InChIKey is ZEONFZJZIVCORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O/c1-16-8-10-17(11-9-16)22-14-12-19(13-15-22)23(20(24)21-2)18-6-4-3-5-7-18/h16-19H,3-15H2,1-2H3,(H,21,24).
What are the key properties of 1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea?
1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea has a molecular weight of 335.54 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-methyl-1-[1-(4-methylcyclohexyl)piperidin-4-yl]urea is sourced from PubChem (CID 143890167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).