1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid

C15H17F2NO4 — CID 119176054

IUPAC1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2NO4/c16-15(17)22-11-6-4-10(5-7-11)9-13(19)18-8-2-1-3-12(18)14(20)21/h4-7,12,15H,1-3,8-9H2,(H,20,21)
InChIKeyZVZJQEBGOFGHLA-UHFFFAOYSA-N
MW313.30 g/mol
LogP2.30
Rot. Bonds5

About 1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid

1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid (PubChem CID 119176054) has the molecular formula C15H17F2NO4 and a molecular weight of 313.30 g/mol. Its IUPAC name is 1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid
PubChem CID119176054
Molecular FormulaC15H17F2NO4
Molecular Weight313.30 g/mol
Exact Mass313.11
IUPAC Name1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H17F2NO4/c16-15(17)22-11-6-4-10(5-7-11)9-13(19)18-8-2-1-3-12(18)14(20)21/h4-7,12,15H,1-3,8-9H2,(H,20,21)
InChIKeyZVZJQEBGOFGHLA-UHFFFAOYSA-N
XLogP2.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[4-(difluoromethoxy)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 43170890
1-[2-(4-hydroxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64558978
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
(2R)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 78920281
1-[2-(4-piperidin-1-ylsulfonylphenyl)acetyl]piperidine-2-carboxylic acid
CID 119175715
(2R)-1-[2-(3-fluoro-4-methoxyphenyl)acetyl]piperidine-2-carboxylic acid
CID 79035338
2-[4-(difluoromethoxy)phenyl]-1-[(2R)-2-[(S)-hydroxy-(4-methoxy-3-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 178103234
(2R)-1-[2-(4-acetylphenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119372064
2-[4-(difluoromethoxy)phenyl]-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43393280
1-[2-(3-methoxyphenyl)acetyl]azepane-2-carboxylic acid
CID 64559530
(2S)-1-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]acetyl]piperidine-2-carboxylic acid
CID 129398255
(2R)-1-[2-[4-(dimethylamino)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 57426175

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid (CID 119176054) is 1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid?
The InChIKey is ZVZJQEBGOFGHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO4/c16-15(17)22-11-6-4-10(5-7-11)9-13(19)18-8-2-1-3-12(18)14(20)21/h4-7,12,15H,1-3,8-9H2,(H,20,21).
What are the key properties of 1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid?
1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid has a molecular weight of 313.30 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(difluoromethoxy)phenyl]acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 119176054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).