N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide

C28H37N3O2 — CID 23570398

IUPACN-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide
SMILESCC(C(=O)NC1CCN(CCC(NC(=O)C2CCC2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H37N3O2/c1-21(22-9-4-2-5-10-22)27(32)29-25-15-18-31(19-16-25)20-17-26(23-11-6-3-7-12-23)30-28(33)24-13-8-14-24/h2-7,9-12,21,24-26H,8,13-20H2,1H3,(H,29,32)(H,30,33)
InChIKeyOMYVPMMZVZEEEB-UHFFFAOYSA-N
MW447.62 g/mol
LogP4.42
Rot. Bonds9

About N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide

N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide (PubChem CID 23570398) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide
PubChem CID23570398
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide
SMILESCC(C(=O)NC1CCN(CCC(NC(=O)C2CCC2)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C28H37N3O2/c1-21(22-9-4-2-5-10-22)27(32)29-25-15-18-31(19-16-25)20-17-26(23-11-6-3-7-12-23)30-28(33)24-13-8-14-24/h2-7,9-12,21,24-26H,8,13-20H2,1H3,(H,29,32)(H,30,33)
InChIKeyOMYVPMMZVZEEEB-UHFFFAOYSA-N
XLogP4.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide 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-[3-[(3S)-3-[[2-(4-methoxyphenyl)acetyl]amino]pyrrolidin-1-yl]-1-phenylpropyl]cyclobutanecarboxamide
CID 58631033
4,4-difluoro-N-[(1S)-1-phenyl-3-[4-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]piperidin-1-yl]propyl]cyclohexane-1-carboxamide
CID 25205931
N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide
CID 91262945
N-[(1S)-3-[4-[[2-(4-cyanophenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]-4,4-difluorocyclohexane-1-carboxamide;methane
CID 158873935
2-[4-(cyclopropylsulfamoyl)phenyl]-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]propanamide
CID 91051221
N-(2-hydroxy-1-phenylethyl)cyclobutanecarboxamide
CID 63184812
N-[(1S)-2-hydroxy-1-phenylethyl]cyclobutanecarboxamide
CID 103945021
N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 10209551
N-[3-[(3aS)-5-(1-acetylpiperidine-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide;2,2,2-trifluoroacetic acid
CID 11671664
N-[(1S)-3-[2-[(1-oxidopyridin-1-ium-4-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 59999102
(3R)-1-methyl-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 99970401
(2S)-2-amino-2-phenyl-N-(1-propylpiperidin-4-yl)acetamide
CID 104897650

Frequently Asked Questions

What is the IUPAC name of N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide (CID 23570398) is N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide is CC(C(=O)NC1CCN(CCC(NC(=O)C2CCC2)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide?
The InChIKey is OMYVPMMZVZEEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-21(22-9-4-2-5-10-22)27(32)29-25-15-18-31(19-16-25)20-17-26(23-11-6-3-7-12-23)30-28(33)24-13-8-14-24/h2-7,9-12,21,24-26H,8,13-20H2,1H3,(H,29,32)(H,30,33).
What are the key properties of N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide?
N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide has a molecular weight of 447.62 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-phenyl-3-[4-(2-phenylpropanoylamino)piperidin-1-yl]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 23570398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).