1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea

C23H27N3O2 — CID 86834895

IUPAC1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)C2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C23H27N3O2/c27-21(23(14-7-15-23)18-8-3-1-4-9-18)26-16-12-20(13-17-26)25-22(28)24-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,24,25,28)
InChIKeyRWNWLBKXBRVOQN-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.92
Rot. Bonds4

About 1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea

1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea (PubChem CID 86834895) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea
PubChem CID86834895
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)C2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C23H27N3O2/c27-21(23(14-7-15-23)18-8-3-1-4-9-18)26-16-12-20(13-17-26)25-22(28)24-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,24,25,28)
InChIKeyRWNWLBKXBRVOQN-UHFFFAOYSA-N
XLogP3.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]cyclobutanecarboxamide
CID 71879972
2-[4-(phenylcarbamoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083323
[4-(methylamino)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119560283
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
1-(1-methanidylpiperidin-4-yl)-3-phenylurea;yttrium
CID 59803141
1-[4-(cyclopropylcarbamoylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557949
1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea
CID 119304245
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
1-[1-(3-methylbutanoyl)piperidin-4-yl]-3-phenylurea
CID 110638001
cyclobutyl-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 75369417
N-(2-fluorophenyl)-4-(phenylcarbamoylamino)piperidine-1-carboxamide
CID 47815472
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea (CID 86834895) is 1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea is O=C(Nc1ccccc1)NC1CCN(C(=O)C2(c3ccccc3)CCC2)CC1.
What is the InChIKey of 1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea?
The InChIKey is RWNWLBKXBRVOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-21(23(14-7-15-23)18-8-3-1-4-9-18)26-16-12-20(13-17-26)25-22(28)24-19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H2,24,25,28).
What are the key properties of 1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea?
1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea has a molecular weight of 377.49 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[1-(1-phenylcyclobutanecarbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 86834895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).