2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid

C28H29NO4 — CID 156633150

IUPAC2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid
SMILESO=C(OCc1ccccc1)N1CCCCC1CC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29NO4/c30-26(31)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)20-25-18-10-11-19-29(25)27(32)33-21-22-12-4-1-5-13-22/h1-9,12-17,25H,10-11,18-21H2,(H,30,31)
InChIKeyGNMOHHPJYMRVNX-UHFFFAOYSA-N
MW443.54 g/mol
LogP5.64
Rot. Bonds7

About 2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid

2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid (PubChem CID 156633150) has the molecular formula C28H29NO4 and a molecular weight of 443.54 g/mol. Its IUPAC name is 2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid
PubChem CID156633150
Molecular FormulaC28H29NO4
Molecular Weight443.54 g/mol
Exact Mass443.21
IUPAC Name2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid
SMILESO=C(OCc1ccccc1)N1CCCCC1CC(C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H29NO4/c30-26(31)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)20-25-18-10-11-19-29(25)27(32)33-21-22-12-4-1-5-13-22/h1-9,12-17,25H,10-11,18-21H2,(H,30,31)
InChIKeyGNMOHHPJYMRVNX-UHFFFAOYSA-N
XLogP5.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.54
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzethidine
CID 62516
(2-Fluorophenyl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 4963714
Benzyl 1-methyl-4-(4-phenylphenyl)piperidine-4-carboxylate;hydrochloride
CID 52950024
Benzyl 2-benzyl-3-oxopiperidine-1-carboxylate
CID 23509685
(2S)-4-(benzyloxy)-1-(2,2-diphenylacetyl)piperidine-2-carboxylic acid
CID 71667882
(2S,4R)-4-benzyloxy-1-(2,2-diphenylacetyl)piperidine-2-carboxylic acid
CID 89722247
US11453690, Example C157
CID 139527005
1-(((9H-fluoren-9-yl)methoxy)carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 2817758
N-Cbz-3-piperidineacetic acid
CID 4247237
4-(1-((Benzyloxy)carbonyl)piperidin-4-YL)butanoic acid
CID 15512317
1-((Phenylmethoxy)carbonyl)-3-piperidinebutanoic acid
CID 44890831
Benzyl 9-oxo-3-azaspiro(5.5)undecane-3-carboxylate
CID 59803011

Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid?
The IUPAC name of 2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid (CID 156633150) is 2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid.
What is the SMILES notation for 2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid?
The canonical SMILES for 2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid is O=C(OCc1ccccc1)N1CCCCC1CC(C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid?
The InChIKey is GNMOHHPJYMRVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO4/c30-26(31)28(23-14-6-2-7-15-23,24-16-8-3-9-17-24)20-25-18-10-11-19-29(25)27(32)33-21-22-12-4-1-5-13-22/h1-9,12-17,25H,10-11,18-21H2,(H,30,31).
What are the key properties of 2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid?
2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid has a molecular weight of 443.54 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-3-(1-phenylmethoxycarbonylpiperidin-2-yl)propanoic acid is sourced from PubChem (CID 156633150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).