1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea

C17H33N3O2 — CID 111496272

IUPAC1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(CCCCCO)CC1
InChIInChI=1S/C17H33N3O2/c21-14-6-2-5-11-20-12-9-16(10-13-20)19-17(22)18-15-7-3-1-4-8-15/h15-16,21H,1-14H2,(H2,18,19,22)
InChIKeyFSHHIJJMQCBVLA-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.25
Rot. Bonds7

About 1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea (PubChem CID 111496272) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea
PubChem CID111496272
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(CCCCCO)CC1
InChIInChI=1S/C17H33N3O2/c21-14-6-2-5-11-20-12-9-16(10-13-20)19-17(22)18-15-7-3-1-4-8-15/h15-16,21H,1-14H2,(H2,18,19,22)
InChIKeyFSHHIJJMQCBVLA-UHFFFAOYSA-N
XLogP2.25
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.25
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

N-[1-(5-hydroxypentyl)azepan-4-yl]-2-methylpropanamide
CID 154671313
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
CID 110446919
1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea
CID 12940306
N-cyclopropyl-2-[4-(5-hydroxypentyl)piperazin-1-yl]acetamide
CID 52875850
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
1-cyclohexyl-3-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]urea;hydrochloride
CID 120981215
1-(1-butylpiperidin-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933397
10-piperidin-1-yldecan-1-ol
CID 22218518
6-(azacyclotridec-1-yl)hexan-1-ol
CID 101161993
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
N-cyclohexyl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 60706788

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea (CID 111496272) is 1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea is O=C(NC1CCCCC1)NC1CCN(CCCCCO)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea?
The InChIKey is FSHHIJJMQCBVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c21-14-6-2-5-11-20-12-9-16(10-13-20)19-17(22)18-15-7-3-1-4-8-15/h15-16,21H,1-14H2,(H2,18,19,22).
What are the key properties of 1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea has a molecular weight of 311.47 g/mol, XLogP of 2.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea is sourced from PubChem (CID 111496272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).