1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea

C19H31N3O2 — CID 109390055

IUPAC1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)NC(CO)c2ccc(CC)cc2)CC1
InChIInChI=1S/C19H31N3O2/c1-3-11-22-12-9-17(10-13-22)20-19(24)21-18(14-23)16-7-5-15(4-2)6-8-16/h5-8,17-18,23H,3-4,9-14H2,1-2H3,(H2,20,21,24)
InChIKeyYUVZOBDXHWDOII-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.46
Rot. Bonds7

About 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea

1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea (PubChem CID 109390055) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea
PubChem CID109390055
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea
SMILESCCCN1CCC(NC(=O)NC(CO)c2ccc(CC)cc2)CC1
InChIInChI=1S/C19H31N3O2/c1-3-11-22-12-9-17(10-13-22)20-19(24)21-18(14-23)16-7-5-15(4-2)6-8-16/h5-8,17-18,23H,3-4,9-14H2,1-2H3,(H2,20,21,24)
InChIKeyYUVZOBDXHWDOII-UHFFFAOYSA-N
XLogP2.46
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 94796883
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-[(1-methylpyrrolidin-2-yl)methyl]urea
CID 109389865
2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid
CID 62710878
N-[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]-2-(1-propylpiperidin-4-yl)acetamide
CID 97272567
1-cyclopentyl-3-[1-(4-ethylphenyl)ethyl]urea
CID 47128258
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea
CID 111508109
2-(1,3-benzodioxol-5-yl)-N-(1-propylpiperidin-4-yl)acetamide
CID 86822757
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111018871
1-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 95969050
2-amino-2-(4-methylphenyl)-N-(1-propylpiperidin-4-yl)acetamide;dihydrochloride
CID 120669407
1-(1-hydroxybutan-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 110922221
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea?
The IUPAC name of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea (CID 109390055) is 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea?
The canonical SMILES for 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea is CCCN1CCC(NC(=O)NC(CO)c2ccc(CC)cc2)CC1.
What is the InChIKey of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea?
The InChIKey is YUVZOBDXHWDOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-3-11-22-12-9-17(10-13-22)20-19(24)21-18(14-23)16-7-5-15(4-2)6-8-16/h5-8,17-18,23H,3-4,9-14H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea?
1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea has a molecular weight of 333.48 g/mol, XLogP of 2.46, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-ethylphenyl)-2-hydroxyethyl]-3-(1-propylpiperidin-4-yl)urea is sourced from PubChem (CID 109390055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).