1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea

C15H29N3O2 — CID 111106538

IUPAC1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea
SMILESC=CCN1CCC(NC(=O)NCC(O)CC(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-4-7-18-8-5-13(6-9-18)17-15(20)16-11-14(19)10-12(2)3/h4,12-14,19H,1,5-11H2,2-3H3,(H2,16,17,20)
InChIKeyXKRSHJSUPPHRSN-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.34
Rot. Bonds7

About 1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea

1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea (PubChem CID 111106538) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea
PubChem CID111106538
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea
SMILESC=CCN1CCC(NC(=O)NCC(O)CC(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-4-7-18-8-5-13(6-9-18)17-15(20)16-11-14(19)10-12(2)3/h4,12-14,19H,1,5-11H2,2-3H3,(H2,16,17,20)
InChIKeyXKRSHJSUPPHRSN-UHFFFAOYSA-N
XLogP1.34
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 111121232
(2R)-N-tert-butyl-2-[(1-prop-2-enylpiperidin-4-yl)carbamoylamino]propanamide
CID 95759967
N-(4-methylpentan-2-yl)-1-prop-2-enylpiperidin-4-amine
CID 115717902
(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
CID 119879124
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-[1-(3-methylbut-2-enyl)piperidin-4-yl]urea
CID 75371042
1-cycloheptyl-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111362
1-cyclopropyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]urea
CID 55767176
1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 110910267
1-[(1-ethylpiperidin-4-yl)amino]-4-methylpentan-2-ol
CID 115714806
1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
CID 110865945
1-(2-hydroxyethyl)-3-[1-(2-methylpropyl)piperidin-4-yl]urea
CID 110894137
1-cyclohexyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)urea
CID 110403501

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea (CID 111106538) is 1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea is C=CCN1CCC(NC(=O)NCC(O)CC(C)C)CC1.
What is the InChIKey of 1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea?
The InChIKey is XKRSHJSUPPHRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-4-7-18-8-5-13(6-9-18)17-15(20)16-11-14(19)10-12(2)3/h4,12-14,19H,1,5-11H2,2-3H3,(H2,16,17,20).
What are the key properties of 1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea?
1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea has a molecular weight of 283.42 g/mol, XLogP of 1.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methylpentyl)-3-(1-prop-2-enylpiperidin-4-yl)urea is sourced from PubChem (CID 111106538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).