1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea

C17H33N3O — CID 110446919

IUPAC1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
SMILESO=C(NCCCCCN1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H33N3O/c21-17(19-16-10-4-1-5-11-16)18-12-6-2-7-13-20-14-8-3-9-15-20/h16H,1-15H2,(H2,18,19,21)
InChIKeyKKBMJTHLUKWIAI-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.27
Rot. Bonds7

About 1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea

1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea (PubChem CID 110446919) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
PubChem CID110446919
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea
SMILESO=C(NCCCCCN1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H33N3O/c21-17(19-16-10-4-1-5-11-16)18-12-6-2-7-13-20-14-8-3-9-15-20/h16H,1-15H2,(H2,18,19,21)
InChIKeyKKBMJTHLUKWIAI-UHFFFAOYSA-N
XLogP3.27
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(3-piperidin-1-ylpropyl)urea
CID 55457976
1-cyclobutyl-3-(2-pyrrolidin-1-ylethyl)urea
CID 115617971
1-cyclopentyl-3-[4-(3-methylpiperidin-1-yl)butyl]urea
CID 86998859
1-(2-hydroxycyclohexyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 110933278
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
1-cyclohexyl-3-(2-piperazin-1-ylethyl)urea
CID 4056008
1-cycloheptyl-3-(2-morpholin-4-ylethyl)urea
CID 47163906
1-cyclohexyl-2-methyl-3-(4-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110957463
1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea
CID 111496272
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050
1-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 71914618
1-[(3S)-1-cyclohexyl-5-oxopyrrolidin-3-yl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 97080337

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea?
The IUPAC name of 1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea (CID 110446919) is 1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea is O=C(NCCCCCN1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea?
The InChIKey is KKBMJTHLUKWIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c21-17(19-16-10-4-1-5-11-16)18-12-6-2-7-13-20-14-8-3-9-15-20/h16H,1-15H2,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea?
1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea has a molecular weight of 295.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(5-piperidin-1-ylpentyl)urea is sourced from PubChem (CID 110446919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).