4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid

C32H41FN4O7 — CID 123325203

IUPAC4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid
SMILESCOC(=O)CC(NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)O)CC2)C1)c1cncc(-c2cccc(OCCF)c2)c1
InChIInChI=1S/C32H41FN4O7/c1-43-30(39)18-28(26-16-25(19-34-20-26)23-4-2-6-27(17-23)44-15-11-33)35-31(40)24-5-3-12-37(21-24)29(38)8-7-22-9-13-36(14-10-22)32(41)42/h2,4,6,16-17,19-20,22,24,28H,3,5,7-15,18,21H2,1H3,(H,35,40)(H,41,42)/t24-,28?/m1/s1
InChIKeyNHYZBIBQMAHUFG-RIBGEGAISA-N
MW612.70 g/mol
LogP4.23
Rot. Bonds12

About 4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid

4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid (PubChem CID 123325203) has the molecular formula C32H41FN4O7 and a molecular weight of 612.70 g/mol. Its IUPAC name is 4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid
PubChem CID123325203
Molecular FormulaC32H41FN4O7
Molecular Weight612.70 g/mol
Exact Mass612.30
IUPAC Name4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid
SMILESCOC(=O)CC(NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)O)CC2)C1)c1cncc(-c2cccc(OCCF)c2)c1
InChIInChI=1S/C32H41FN4O7/c1-43-30(39)18-28(26-16-25(19-34-20-26)23-4-2-6-27(17-23)44-15-11-33)35-31(40)24-5-3-12-37(21-24)29(38)8-7-22-9-13-36(14-10-22)32(41)42/h2,4,6,16-17,19-20,22,24,28H,3,5,7-15,18,21H2,1H3,(H,35,40)(H,41,42)/t24-,28?/m1/s1
InChIKeyNHYZBIBQMAHUFG-RIBGEGAISA-N
XLogP4.23
TPSA138.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.70
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid 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

3-[5-(2-Methoxy-phenyl)-pyridin-3-yl]-3-{[1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 10577940
3-[5-(3-Methoxy-phenyl)-pyridin-3-yl]-3-{[1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 10602103
3-[5-(4-Methoxy-phenyl)-pyridin-3-yl]-3-{[1-(3-piperidin-4-yl-propionyl)-piperidine-3-carbonyl]-amino}-propionic acid
CID 11800172
Ethyl 3-(3-methoxybenzyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-3-carboxylate
CID 16191208
2-cyclohexyl-2-(4-methoxyphenyl)-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
CID 44430539
(3R,4S)-N-cyclopropyl-N-[[3-(2-methoxyethoxy)-5-(3-methoxypropyl)phenyl]methyl]-4-pyridin-3-ylpiperidine-3-carboxamide
CID 56676730
(3S)-3-[5-[(4-cyano-3-fluorophenyl)methoxy]-3-pyridinyl]-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 71259026
(3S)-3-[5-[(3-cyano-4-fluorophenyl)methoxy]-3-pyridinyl]-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 71268076
(3S)-3-[5-(2-fluoroethoxy)pyridin-3-yl]-3-[({(3R)-1-[3-(piperidin-4-yl)propanoyl]piperidin-3-yl}carbonyl)amino]propanoic acid
CID 71609419
(3S)-3-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 71609421
(3S)-3-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-[[(3R)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carbonyl]amino]propanoic acid
CID 71609422
(3S)-3-{5-[4-(2-Fluoroethoxy)phenyl]pyridin-3-yl}-3-[({(3R)-1-[3-(piperidin-4-yl)propanoyl]piperidin-3-yl}carbonyl)amino]propanoic acid
CID 71609444

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid (CID 123325203) is 4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid is COC(=O)CC(NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)O)CC2)C1)c1cncc(-c2cccc(OCCF)c2)c1.
What is the InChIKey of 4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid?
The InChIKey is NHYZBIBQMAHUFG-RIBGEGAISA-N. The full InChI is InChI=1S/C32H41FN4O7/c1-43-30(39)18-28(26-16-25(19-34-20-26)23-4-2-6-27(17-23)44-15-11-33)35-31(40)24-5-3-12-37(21-24)29(38)8-7-22-9-13-36(14-10-22)32(41)42/h2,4,6,16-17,19-20,22,24,28H,3,5,7-15,18,21H2,1H3,(H,35,40)(H,41,42)/t24-,28?/m1/s1.
What are the key properties of 4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid?
4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid has a molecular weight of 612.70 g/mol, XLogP of 4.23, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3R)-3-[[1-[5-[3-(2-fluoroethoxy)phenyl]-3-pyridinyl]-3-methoxy-3-oxopropyl]carbamoyl]piperidin-1-yl]-3-oxopropyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 123325203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).