1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea

C17H25N3O3 — CID 154739654

IUPAC1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
SMILESCC(=O)N1CCC(NC(=O)NC(C)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-12(11-14-3-5-16(22)6-4-14)18-17(23)19-15-7-9-20(10-8-15)13(2)21/h3-6,12,15,22H,7-11H2,1-2H3,(H2,18,19,23)
InChIKeyROYDSJNZBVGRBR-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.63
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea

1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea (PubChem CID 154739654) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
PubChem CID154739654
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
SMILESCC(=O)N1CCC(NC(=O)NC(C)Cc2ccc(O)cc2)CC1
InChIInChI=1S/C17H25N3O3/c1-12(11-14-3-5-16(22)6-4-14)18-17(23)19-15-7-9-20(10-8-15)13(2)21/h3-6,12,15,22H,7-11H2,1-2H3,(H2,18,19,23)
InChIKeyROYDSJNZBVGRBR-UHFFFAOYSA-N
XLogP1.63
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetylpiperidin-4-yl)-3-[3-(4-hydroxyphenyl)propyl]urea
CID 69241812
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-(1-oxaspiro[5.5]undecan-4-yl)urea
CID 86769678
2-amino-3-(4-hydroxyphenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 76893768
1-cyclohexyl-3-[1-(4-fluorophenyl)propan-2-yl]urea
CID 115588349
1-N-cyclopentyl-3-N-[1-(4-hydroxyphenyl)propan-2-yl]piperidine-1,3-dicarboxamide
CID 136516183
2-(cyclopropylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 61187927
2-[4-[1-(4-hydroxyphenyl)propan-2-ylamino]piperidin-1-yl]acetamide
CID 115494179
ethyl 1-[1-(4-hydroxyphenyl)propan-2-ylcarbamoyl]piperidine-4-carboxylate
CID 60577832
(2R)-2-(cyclobutylcarbamoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 104904500
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465095
[(2S)-1-(4-hydroxyphenyl)propan-2-yl]carbamic acid
CID 124508416

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea (CID 154739654) is 1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea is CC(=O)N1CCC(NC(=O)NC(C)Cc2ccc(O)cc2)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
The InChIKey is ROYDSJNZBVGRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12(11-14-3-5-16(22)6-4-14)18-17(23)19-15-7-9-20(10-8-15)13(2)21/h3-6,12,15,22H,7-11H2,1-2H3,(H2,18,19,23).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea?
1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea has a molecular weight of 319.40 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea is sourced from PubChem (CID 154739654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).