1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea

C21H25N3O2 — CID 86837924

IUPAC1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NC2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-2-15-26-20-10-6-7-18(16-20)23-21(25)22-17-11-13-24(14-12-17)19-8-4-3-5-9-19/h2-10,16-17H,1,11-15H2,(H2,22,23,25)
InChIKeyGGEAEAIUYZSKCR-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.04
Rot. Bonds6

About 1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea

1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea (PubChem CID 86837924) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
PubChem CID86837924
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
SMILESC=CCOc1cccc(NC(=O)NC2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O2/c1-2-15-26-20-10-6-7-18(16-20)23-21(25)22-17-11-13-24(14-12-17)19-8-4-3-5-9-19/h2-10,16-17H,1,11-15H2,(H2,22,23,25)
InChIKeyGGEAEAIUYZSKCR-UHFFFAOYSA-N
XLogP4.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[1-(oxolan-2-ylmethyl)piperidin-4-yl]-3-(3-prop-2-enoxyphenyl)urea
CID 118777017
1-cyclopropyl-3-(3-prop-2-enoxyphenyl)thiourea
CID 47511985
1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007480
4-morpholin-4-yl-N-(3-prop-2-enoxyphenyl)benzamide
CID 21367147
2-[3-(cyclohexylcarbamoylamino)phenoxy]acetic acid
CID 61057844
4-(3-chlorophenyl)-N-(3-prop-2-enoxyphenyl)piperazine-1-carboxamide
CID 60577938
1-cyclopentyl-3-(3-ethoxyphenyl)urea
CID 47264657
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
2-[3-[(1-methylpyrrolidin-3-yl)carbamoylamino]phenoxy]acetic acid
CID 61464965
4-[[3-(2-phenylethoxy)phenyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092860
1-(2-phenylethyl)-3-(3-prop-2-enoxyphenyl)urea
CID 60576890
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea?
The IUPAC name of 1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea (CID 86837924) is 1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea.
What is the SMILES notation for 1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea?
The canonical SMILES for 1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea is C=CCOc1cccc(NC(=O)NC2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea?
The InChIKey is GGEAEAIUYZSKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-15-26-20-10-6-7-18(16-20)23-21(25)22-17-11-13-24(14-12-17)19-8-4-3-5-9-19/h2-10,16-17H,1,11-15H2,(H2,22,23,25).
What are the key properties of 1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea?
1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea has a molecular weight of 351.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea is sourced from PubChem (CID 86837924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).