1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea

C15H31N3O2 — CID 111508133

IUPAC1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)NCC(O)(CC)CC)CC1
InChIInChI=1S/C15H31N3O2/c1-4-9-18-10-7-13(8-11-18)17-14(19)16-12-15(20,5-2)6-3/h13,20H,4-12H2,1-3H3,(H2,16,17,19)
InChIKeyCSBWJBVTDAHDES-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.71
Rot. Bonds7

About 1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea

1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea (PubChem CID 111508133) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea
PubChem CID111508133
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)NCC(O)(CC)CC)CC1
InChIInChI=1S/C15H31N3O2/c1-4-9-18-10-7-13(8-11-18)17-14(19)16-12-15(20,5-2)6-3/h13,20H,4-12H2,1-3H3,(H2,16,17,19)
InChIKeyCSBWJBVTDAHDES-UHFFFAOYSA-N
XLogP1.71
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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-(2-hydroxy-2,3-dimethylpentyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508128
1-cyclobutyl-3-(2-ethyl-2-hydroxybutyl)urea
CID 115642262
1-(2-ethyl-2-hydroxybutyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 136579762
1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
CID 110910101
1-(1-cyclopentylpyrrolidin-3-yl)-3-(2-ethyl-2-hydroxybutyl)urea
CID 111438962
3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 81069420
1-(2-ethyl-2-hydroxybutyl)-3-[1-(1-phenylethyl)piperidin-4-yl]urea
CID 111422903
1-(1-butylpiperidin-4-yl)-3-(2-hydroxyethyl)urea
CID 110911531
2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid
CID 62710878
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
1-[1-(3-chloropropyl)piperidin-4-yl]-3-ethylurea
CID 54286811
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea (CID 111508133) is 1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea is CCCN1CCC(NC(=O)NCC(O)(CC)CC)CC1.
What is the InChIKey of 1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is CSBWJBVTDAHDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-4-9-18-10-7-13(8-11-18)17-14(19)16-12-15(20,5-2)6-3/h13,20H,4-12H2,1-3H3,(H2,16,17,19).
What are the key properties of 1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea?
1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 285.43 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 111508133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).