1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea

C14H27N3O2 — CID 111106533

IUPAC1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea
SMILESC=CCN1CCC(NC(=O)N(CCC)CCO)CC1
InChIInChI=1S/C14H27N3O2/c1-3-7-16-9-5-13(6-10-16)15-14(19)17(8-4-2)11-12-18/h3,13,18H,1,4-12H2,2H3,(H,15,19)
InChIKeyCKMGQLWCGVNXNO-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.05
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea

1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea (PubChem CID 111106533) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea
PubChem CID111106533
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea
SMILESC=CCN1CCC(NC(=O)N(CCC)CCO)CC1
InChIInChI=1S/C14H27N3O2/c1-3-7-16-9-5-13(6-10-16)15-14(19)17(8-4-2)11-12-18/h3,13,18H,1,4-12H2,2H3,(H,15,19)
InChIKeyCKMGQLWCGVNXNO-UHFFFAOYSA-N
XLogP1.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea 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

3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea
CID 110882613
3-cyclobutyl-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 115642253
(2S)-2-amino-N-(1-prop-2-enylpiperidin-4-yl)butanamide
CID 119879124
1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
4-[[butyl(2-hydroxyethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61447425
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
3,5-dimethyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538560
3-(3-ethylsulfanylcyclopentyl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111509144
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
7-amino-N-(1-prop-2-enylpiperidin-4-yl)heptanamide
CID 119879080
oxalic acid;N-(1-prop-2-enylpyrrolidin-3-yl)propanamide
CID 21128373

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea (CID 111106533) is 1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea is C=CCN1CCC(NC(=O)N(CCC)CCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea?
The InChIKey is CKMGQLWCGVNXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-7-16-9-5-13(6-10-16)15-14(19)17(8-4-2)11-12-18/h3,13,18H,1,4-12H2,2H3,(H,15,19).
What are the key properties of 1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea?
1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea has a molecular weight of 269.39 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea is sourced from PubChem (CID 111106533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).