1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane

C20H40N4O — CID 143776516

IUPAC1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane
SMILESCC.CC1(N2CCC(N(C(N)=O)C3CCCCC3)CC2)CCNCC1
InChIInChI=1S/C18H34N4O.C2H6/c1-18(9-11-20-12-10-18)21-13-7-16(8-14-21)22(17(19)23)15-5-3-2-4-6-15;1-2/h15-16,20H,2-14H2,1H3,(H2,19,23);1-2H3
InChIKeyVXOISHTXVLJVOH-UHFFFAOYSA-N
MW352.57 g/mol
LogP3.33
Rot. Bonds3

About 1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane

1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane (PubChem CID 143776516) has the molecular formula C20H40N4O and a molecular weight of 352.57 g/mol. Its IUPAC name is 1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane.

Molecular Properties

Compound Name1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane
PubChem CID143776516
Molecular FormulaC20H40N4O
Molecular Weight352.57 g/mol
Exact Mass352.32
IUPAC Name1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane
SMILESCC.CC1(N2CCC(N(C(N)=O)C3CCCCC3)CC2)CCNCC1
InChIInChI=1S/C18H34N4O.C2H6/c1-18(9-11-20-12-10-18)21-13-7-16(8-14-21)22(17(19)23)15-5-3-2-4-6-15;1-2/h15-16,20H,2-14H2,1H3,(H2,19,23);1-2H3
InChIKeyVXOISHTXVLJVOH-UHFFFAOYSA-N
XLogP3.33
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

but-2-ynyl 4-[4-[carbamoyl(cyclohexyl)amino]piperidin-1-yl]-4-methylpiperidine-1-carboxylate
CID 143776520
N-(2-amino-2-oxoethyl)-N-cyclopentyl-4-methylpiperidine-4-carboxamide
CID 55178323
1-cyclohexyl-1-[1-(morpholine-4-carbonyl)piperidin-4-yl]urea
CID 67489629
1-[(1R)-2-methylcyclohexyl]-1-(1-pyrrolidin-3-ylpiperidin-4-yl)urea
CID 163632222
1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 55177939
N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide
CID 71024303
1-cycloheptyl-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]urea
CID 141165551
1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea
CID 67489638
1-cyclohexyl-1-[(3R)-oxolan-3-yl]urea
CID 67472879
4-[2-[(2S)-2-methyl-4-(4-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 58635530
1-[1-[1-(cyclobutanecarbonyl)piperidin-4-yl]piperidin-4-yl]-1-cyclohexylurea
CID 70308947
1-(1-methylcyclooctyl)piperidin-4-ol
CID 67281005

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane?
The IUPAC name of 1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane (CID 143776516) is 1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane.
What is the SMILES notation for 1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane?
The canonical SMILES for 1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane is CC.CC1(N2CCC(N(C(N)=O)C3CCCCC3)CC2)CCNCC1.
What is the InChIKey of 1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane?
The InChIKey is VXOISHTXVLJVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O.C2H6/c1-18(9-11-20-12-10-18)21-13-7-16(8-14-21)22(17(19)23)15-5-3-2-4-6-15;1-2/h15-16,20H,2-14H2,1H3,(H2,19,23);1-2H3.
What are the key properties of 1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane?
1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane has a molecular weight of 352.57 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[1-(4-methylpiperidin-4-yl)piperidin-4-yl]urea;ethane is sourced from PubChem (CID 143776516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).