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

C15H31N3O2 — CID 111455670

IUPAC1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NCCN1CCCCC1CC
InChIInChI=1S/C15H31N3O2/c1-3-13(8-12-19)17-15(20)16-9-11-18-10-6-5-7-14(18)4-2/h13-14,19H,3-12H2,1-2H3,(H2,16,17,20)
InChIKeyNQTMLEUVMBMLAK-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.71
Rot. Bonds8

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

1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea (PubChem CID 111455670) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea.

Molecular Properties

Compound Name1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
PubChem CID111455670
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea
SMILESCCC(CCO)NC(=O)NCCN1CCCCC1CC
InChIInChI=1S/C15H31N3O2/c1-3-13(8-12-19)17-15(20)16-9-11-18-10-6-5-7-14(18)4-2/h13-14,19H,3-12H2,1-2H3,(H2,16,17,20)
InChIKeyNQTMLEUVMBMLAK-UHFFFAOYSA-N
XLogP1.71
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-hydroxypentan-3-yl)-3-[[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methyl]urea
CID 109499738
1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111435372
1-cyclopropyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]-1-(2-hydroxyethyl)urea
CID 111435375
(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride
CID 119887846
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
CID 99866850
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-methylthiourea
CID 21450382
2-(2-ethylpiperidin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43509674
4-(2-ethylpiperidin-1-yl)-2-(methylamino)butan-1-ol
CID 64797863
1-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]guanidine
CID 111568209
2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-(oxan-4-yl)acetamide
CID 120800670

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
The IUPAC name of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea (CID 111455670) is 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea.
What is the SMILES notation for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
The canonical SMILES for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea is CCC(CCO)NC(=O)NCCN1CCCCC1CC.
What is the InChIKey of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
The InChIKey is NQTMLEUVMBMLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-3-13(8-12-19)17-15(20)16-9-11-18-10-6-5-7-14(18)4-2/h13-14,19H,3-12H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea?
1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea has a molecular weight of 285.43 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylpiperidin-1-yl)ethyl]-3-(1-hydroxypentan-3-yl)urea is sourced from PubChem (CID 111455670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).