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

C17H33N3O2 — CID 110933279

IUPAC1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
SMILESCC1CCCCN1CCCCNC(=O)NC1CCCCC1O
InChIInChI=1S/C17H33N3O2/c1-14-8-4-6-12-20(14)13-7-5-11-18-17(22)19-15-9-2-3-10-16(15)21/h14-16,21H,2-13H2,1H3,(H2,18,19,22)
InChIKeyURYYWSCUBJIRGE-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.24
Rot. Bonds6

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

1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea (PubChem CID 110933279) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea.

Molecular Properties

Compound Name1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
PubChem CID110933279
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
SMILESCC1CCCCN1CCCCNC(=O)NC1CCCCC1O
InChIInChI=1S/C17H33N3O2/c1-14-8-4-6-12-20(14)13-7-5-11-18-17(22)19-15-9-2-3-10-16(15)21/h14-16,21H,2-13H2,1H3,(H2,18,19,22)
InChIKeyURYYWSCUBJIRGE-UHFFFAOYSA-N
XLogP2.24
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110933278
2-[3-(2-methylpiperidin-1-yl)propylamino]cyclohexan-1-ol
CID 60886265
4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide
CID 60516245
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 61265357
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
3-methyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 64701409
2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 115428307
1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 43468974
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 111334587

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
The IUPAC name of 1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea (CID 110933279) is 1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea.
What is the SMILES notation for 1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
The canonical SMILES for 1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea is CC1CCCCN1CCCCNC(=O)NC1CCCCC1O.
What is the InChIKey of 1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
The InChIKey is URYYWSCUBJIRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-14-8-4-6-12-20(14)13-7-5-11-18-17(22)19-15-9-2-3-10-16(15)21/h14-16,21H,2-13H2,1H3,(H2,18,19,22).
What are the key properties of 1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea?
1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea has a molecular weight of 311.47 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea is sourced from PubChem (CID 110933279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).