1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea

C18H34N4O2 — CID 110933391

IUPAC1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
SMILESCN1CCC(N2CCC(NC(=O)NC3CCCCC3O)CC2)CC1
InChIInChI=1S/C18H34N4O2/c1-21-10-8-15(9-11-21)22-12-6-14(7-13-22)19-18(24)20-16-4-2-3-5-17(16)23/h14-17,23H,2-13H2,1H3,(H2,19,20,24)
InChIKeyINANFKSARADLML-UHFFFAOYSA-N
MW338.50 g/mol
LogP1.15
Rot. Bonds3

About 1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea

1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea (PubChem CID 110933391) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
PubChem CID110933391
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
SMILESCN1CCC(N2CCC(NC(=O)NC3CCCCC3O)CC2)CC1
InChIInChI=1S/C18H34N4O2/c1-21-10-8-15(9-11-21)22-12-6-14(7-13-22)19-18(24)20-16-4-2-3-5-17(16)23/h14-17,23H,2-13H2,1H3,(H2,19,20,24)
InChIKeyINANFKSARADLML-UHFFFAOYSA-N
XLogP1.15
TPSA67.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopropylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933219
1-(1-cyclohexylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 111619277
1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933397
1-(1-cyclopentylpiperidin-4-yl)-3-[(1-methylpiperidin-4-yl)methyl]urea
CID 126777788
1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 49470876
1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]-3-(6-methyl-3-pyridinyl)urea
CID 86803583
1-(2-hydroxycyclohexyl)-3-(3-methylcyclohexyl)urea
CID 110933307
1-(2-hydroxy-2,3-dimethylbutyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 111121133
1-(4-fluoro-3-methylphenyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea
CID 99581606
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
CID 110933322
1-(1-cyclopropylpiperidin-4-yl)-3-(2-propylcyclopropyl)urea
CID 71925999
2-[(1-methylpyrrolidin-3-yl)amino]cyclohexan-1-ol
CID 61462250

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea (CID 110933391) is 1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea is CN1CCC(N2CCC(NC(=O)NC3CCCCC3O)CC2)CC1.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
The InChIKey is INANFKSARADLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-21-10-8-15(9-11-21)22-12-6-14(7-13-22)19-18(24)20-16-4-2-3-5-17(16)23/h14-17,23H,2-13H2,1H3,(H2,19,20,24).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea?
1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea has a molecular weight of 338.50 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]urea is sourced from PubChem (CID 110933391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).