1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

C18H35N3O2 — CID 111722272

IUPAC1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCC2(C)CCCCC2O)CC1
InChIInChI=1S/C18H35N3O2/c1-14(2)12-21-10-7-15(8-11-21)20-17(23)19-13-18(3)9-5-4-6-16(18)22/h14-16,22H,4-13H2,1-3H3,(H2,19,20,23)
InChIKeyMBIPPJXNIGLAJI-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.35
Rot. Bonds5

About 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea

1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (PubChem CID 111722272) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
PubChem CID111722272
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
SMILESCC(C)CN1CCC(NC(=O)NCC2(C)CCCCC2O)CC1
InChIInChI=1S/C18H35N3O2/c1-14(2)12-21-10-7-15(8-11-21)20-17(23)19-13-18(3)9-5-4-6-16(18)22/h14-16,22H,4-13H2,1-3H3,(H2,19,20,23)
InChIKeyMBIPPJXNIGLAJI-UHFFFAOYSA-N
XLogP2.35
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 111618471
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-phenylpyrrolidin-3-yl)urea
CID 111722407
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111722313
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
1-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119841090
5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109478202
2-[ethyl-[3-[(2-hydroxy-1-methylcyclohexyl)methylcarbamoylamino]cyclobutyl]amino]acetic acid
CID 122026326
1-(2-cyclopropylethyl)-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
CID 111722478
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 111932607
1-[(4-bromo-3-fluorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51128647
1-[(2,4-dichlorophenyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 51117380
4,4-difluoro-N-[[(1S,2R)-2-hydroxy-1-methylcyclohexyl]methyl]cyclohexane-1-carboxamide
CID 124568326

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea (CID 111722272) is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is CC(C)CN1CCC(NC(=O)NCC2(C)CCCCC2O)CC1.
What is the InChIKey of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
The InChIKey is MBIPPJXNIGLAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14(2)12-21-10-7-15(8-11-21)20-17(23)19-13-18(3)9-5-4-6-16(18)22/h14-16,22H,4-13H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea?
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea has a molecular weight of 325.50 g/mol, XLogP of 2.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[1-(2-methylpropyl)piperidin-4-yl]urea is sourced from PubChem (CID 111722272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).