1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea

C20H23N3O3 — CID 47070929

IUPAC1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea
SMILESCc1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C20H23N3O3/c1-14-7-8-17(18(24)13-14)19(25)23-11-9-16(10-12-23)22-20(26)21-15-5-3-2-4-6-15/h2-8,13,16,24H,9-12H2,1H3,(H2,21,22,26)
InChIKeyJAVWVUGJXZKRRM-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.13
Rot. Bonds3

About 1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea

1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea (PubChem CID 47070929) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea
PubChem CID47070929
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea
SMILESCc1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c(O)c1
InChIInChI=1S/C20H23N3O3/c1-14-7-8-17(18(24)13-14)19(25)23-11-9-16(10-12-23)22-20(26)21-15-5-3-2-4-6-15/h2-8,13,16,24H,9-12H2,1H3,(H2,21,22,26)
InChIKeyJAVWVUGJXZKRRM-UHFFFAOYSA-N
XLogP3.13
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
N-(1-acetylpiperidin-4-yl)-2-hydroxy-4-methylbenzamide
CID 47114518
1-[1-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-3-phenylurea
CID 166193661
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
[4-(1-bromoethyl)piperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 106839238
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119944747
1-cyclopropyl-3-(3-methylphenyl)urea
CID 841579
1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea
CID 119304245
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-(phenylcarbamoylamino)propanamide
CID 55710997
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558809
1-(1-acetylpiperidin-4-yl)-3-(4-phenoxyphenyl)urea
CID 25070785

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea (CID 47070929) is 1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea is Cc1ccc(C(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)c(O)c1.
What is the InChIKey of 1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea?
The InChIKey is JAVWVUGJXZKRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-7-8-17(18(24)13-14)19(25)23-11-9-16(10-12-23)22-20(26)21-15-5-3-2-4-6-15/h2-8,13,16,24H,9-12H2,1H3,(H2,21,22,26).
What are the key properties of 1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea?
1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea has a molecular weight of 353.42 g/mol, XLogP of 3.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxy-4-methylbenzoyl)piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 47070929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).