N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide

C31H33N3O3 — CID 40927553

IUPACN-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C2CC2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33N3O3/c35-29(28(24-12-6-2-7-13-24)25-14-8-3-9-15-25)32-27(22-23-10-4-1-5-11-23)31(37)34-20-18-33(19-21-34)30(36)26-16-17-26/h1-15,26-28H,16-22H2,(H,32,35)/t27-/m0/s1
InChIKeyPOLVHRLALUTEIV-MHZLTWQESA-N
MW495.62 g/mol
LogP3.63
Rot. Bonds8

About N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide

N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide (PubChem CID 40927553) has the molecular formula C31H33N3O3 and a molecular weight of 495.62 g/mol. Its IUPAC name is N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide
PubChem CID40927553
Molecular FormulaC31H33N3O3
Molecular Weight495.62 g/mol
Exact Mass495.25
IUPAC NameN-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide
SMILESO=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C2CC2)CC1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H33N3O3/c35-29(28(24-12-6-2-7-13-24)25-14-8-3-9-15-25)32-27(22-23-10-4-1-5-11-23)31(37)34-20-18-33(19-21-34)30(36)26-16-17-26/h1-15,26-28H,16-22H2,(H,32,35)/t27-/m0/s1
InChIKeyPOLVHRLALUTEIV-MHZLTWQESA-N
XLogP3.63
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.62
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide 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-[(2R)-1-oxo-1-(4-oxopiperidin-1-yl)-3-phenylpropan-2-yl]-2,2-diphenylacetamide
CID 41094026
N-[1-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 46540029
N-cyclohexyl-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanamide
CID 3523242
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]cyclohexanecarboxamide
CID 110347354
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119762004
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 42707504
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate
CID 6992952
2-(cyclopropylmethylamino)-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide;hydrochloride
CID 119762010
benzyl 4-[(2S)-2-[(2,2-diphenylacetyl)amino]-3-hydroxypropanoyl]-1,4-diazepane-1-carboxylate
CID 6723186

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide (CID 40927553) is N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide is O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C2CC2)CC1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide?
The InChIKey is POLVHRLALUTEIV-MHZLTWQESA-N. The full InChI is InChI=1S/C31H33N3O3/c35-29(28(24-12-6-2-7-13-24)25-14-8-3-9-15-25)32-27(22-23-10-4-1-5-11-23)31(37)34-20-18-33(19-21-34)30(36)26-16-17-26/h1-15,26-28H,16-22H2,(H,32,35)/t27-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide?
N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide has a molecular weight of 495.62 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 40927553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).