1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea

C14H29N3O2 — CID 111435372

IUPAC1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea
SMILESCCC1CCCCN1CCNC(=O)N(CC)CCO
InChIInChI=1S/C14H29N3O2/c1-3-13-7-5-6-9-17(13)10-8-15-14(19)16(4-2)11-12-18/h13,18H,3-12H2,1-2H3,(H,15,19)
InChIKeyFGHKWQXPHIMPHR-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.27
Rot. Bonds7

About 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea

1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea (PubChem CID 111435372) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea
PubChem CID111435372
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea
SMILESCCC1CCCCN1CCNC(=O)N(CC)CCO
InChIInChI=1S/C14H29N3O2/c1-3-13-7-5-6-9-17(13)10-8-15-14(19)16(4-2)11-12-18/h13,18H,3-12H2,1-2H3,(H,15,19)
InChIKeyFGHKWQXPHIMPHR-UHFFFAOYSA-N
XLogP1.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111435375
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
CID 111455670
3-(3-cyclopentylpropyl)-1-ethyl-1-(2-hydroxyethyl)urea
CID 110896342
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea
CID 21450382
2-(2-ethylpiperidin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43509674
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride
CID 119887846
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850
tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
CID 68883286
1,1-diethyl-3-(2-piperidin-1-ylethyl)urea
CID 115583735

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea (CID 111435372) is 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea is CCC1CCCCN1CCNC(=O)N(CC)CCO.
What is the InChIKey of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea?
The InChIKey is FGHKWQXPHIMPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-3-13-7-5-6-9-17(13)10-8-15-14(19)16(4-2)11-12-18/h13,18H,3-12H2,1-2H3,(H,15,19).
What are the key properties of 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea?
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea has a molecular weight of 271.40 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 111435372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).