3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea

C13H27N3O2 — CID 110882613

IUPAC3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C13H27N3O2/c1-3-7-16(10-11-17)13(18)14-12-5-8-15(4-2)9-6-12/h12,17H,3-11H2,1-2H3,(H,14,18)
InChIKeyZXSJWXYCZHDVRE-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.88
Rot. Bonds6

About 3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea

3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea (PubChem CID 110882613) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea
PubChem CID110882613
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea
SMILESCCCN(CCO)C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C13H27N3O2/c1-3-7-16(10-11-17)13(18)14-12-5-8-15(4-2)9-6-12/h12,17H,3-11H2,1-2H3,(H,14,18)
InChIKeyZXSJWXYCZHDVRE-UHFFFAOYSA-N
XLogP0.88
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxyethyl)-3-(1-prop-2-enylpiperidin-4-yl)-1-propylurea
CID 111106533
2-[ethyl(2-hydroxyethyl)amino]-N-(1-ethylpiperidin-4-yl)acetamide
CID 110881299
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
N-(1-ethylpiperidin-4-yl)-4-hydroxybutanamide
CID 79192481
1-benzyl-3-[1-(2-methylpropyl)piperidin-4-yl]-1-propylurea
CID 87003316
(1-ethylpiperidin-4-yl)carbamic acid;hydrochloride
CID 68989076
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
CID 115590449
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 66032028

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea (CID 110882613) is 3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea is CCCN(CCO)C(=O)NC1CCN(CC)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea?
The InChIKey is ZXSJWXYCZHDVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-7-16(10-11-17)13(18)14-12-5-8-15(4-2)9-6-12/h12,17H,3-11H2,1-2H3,(H,14,18).
What are the key properties of 3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea?
3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea has a molecular weight of 257.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-1-(2-hydroxyethyl)-1-propylurea is sourced from PubChem (CID 110882613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).