1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid

C19H22F2N2O5 — CID 119167880

IUPAC1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CCCN2C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C19H22F2N2O5/c20-19(21)28-15-8-2-1-6-13(15)16(24)23-10-4-7-14(23)17(25)22-9-3-5-12(11-22)18(26)27/h1-2,6,8,12,14,19H,3-5,7,9-11H2,(H,26,27)
InChIKeyUCUHJMCEOMJGEZ-UHFFFAOYSA-N
MW396.39 g/mol
LogP2.22
Rot. Bonds5

About 1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid

1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid (PubChem CID 119167880) has the molecular formula C19H22F2N2O5 and a molecular weight of 396.39 g/mol. Its IUPAC name is 1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
PubChem CID119167880
Molecular FormulaC19H22F2N2O5
Molecular Weight396.39 g/mol
Exact Mass396.15
IUPAC Name1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)C2CCCN2C(=O)c2ccccc2OC(F)F)C1
InChIInChI=1S/C19H22F2N2O5/c20-19(21)28-15-8-2-1-6-13(15)16(24)23-10-4-7-14(23)17(25)22-9-3-5-12(11-22)18(26)27/h1-2,6,8,12,14,19H,3-5,7,9-11H2,(H,26,27)
InChIKeyUCUHJMCEOMJGEZ-UHFFFAOYSA-N
XLogP2.22
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(difluoromethoxy)benzoyl]pyrrolidin-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 138995269
[(3R)-3-aminopyrrolidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone
CID 119409468
1-[2-(difluoromethoxy)benzoyl]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 86997540
[2-(aminomethyl)piperidin-1-yl]-[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]methanone;hydrochloride
CID 119466370
1-[3-[4-[2-(difluoromethoxy)benzoyl]piperazine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 55608451
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119648790
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55638637
[1-[2-(difluoromethoxy)benzoyl]piperidin-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 55637957
1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
CID 45429227
1-[2-(difluoromethoxy)benzoyl]-N-methoxypiperidine-3-carboxamide
CID 46416186
1-[1-(thiophene-2-carbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 119167862
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 46434757

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid (CID 119167880) is 1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)C2CCCN2C(=O)c2ccccc2OC(F)F)C1.
What is the InChIKey of 1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is UCUHJMCEOMJGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O5/c20-19(21)28-15-8-2-1-6-13(15)16(24)23-10-4-7-14(23)17(25)22-9-3-5-12(11-22)18(26)27/h1-2,6,8,12,14,19H,3-5,7,9-11H2,(H,26,27).
What are the key properties of 1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid?
1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 396.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).