1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid

C12H17F2NO3 — CID 114224210

IUPAC1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC2CCC(F)(F)C2)C1
InChIInChI=1S/C12H17F2NO3/c13-12(14)4-3-8(5-12)6-15-7-9(11(17)18)1-2-10(15)16/h8-9H,1-7H2,(H,17,18)
InChIKeyDCFBZCCGIYLMEH-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.75
Rot. Bonds3

About 1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid

1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid (PubChem CID 114224210) has the molecular formula C12H17F2NO3 and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid
PubChem CID114224210
Molecular FormulaC12H17F2NO3
Molecular Weight261.27 g/mol
Exact Mass261.12
IUPAC Name1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid
SMILESO=C(O)C1CCC(=O)N(CC2CCC(F)(F)C2)C1
InChIInChI=1S/C12H17F2NO3/c13-12(14)4-3-8(5-12)6-15-7-9(11(17)18)1-2-10(15)16/h8-9H,1-7H2,(H,17,18)
InChIKeyDCFBZCCGIYLMEH-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylmethyl)-6-oxopiperidine-3-carboxylic acid
CID 62303211
6-oxo-1-pentylpiperidine-3-carboxylic acid
CID 62230465
1-[2-(4-fluorophenyl)ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62302897
1-(4-amino-4-oxobutyl)-6-oxopiperidine-3-carboxylic acid
CID 62301232
6-oxo-1-tetradecylpiperidine-3-carboxylic acid
CID 123215271
1-[2-(azepan-1-yl)-2-oxoethyl]-6-oxopiperidine-3-carboxylic acid
CID 62230805
6-oxo-1-[2-(1H-pyrrol-3-yl)ethyl]piperidine-3-carboxylic acid
CID 116837796
1-[2-[ethyl(methyl)amino]ethyl]-6-oxopiperidine-3-carboxylic acid
CID 62639907
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-6-oxopiperidine-3-carboxylic acid
CID 114113205
6-oxo-1-(4-phenylbutyl)piperidine-3-carboxylic acid
CID 114333959
1-(2,3-dichloroprop-2-enyl)-6-oxopiperidine-3-carboxylic acid
CID 79173164
1-[(3,3-difluorocyclopentyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 114224333

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid?
The IUPAC name of 1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid (CID 114224210) is 1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid is O=C(O)C1CCC(=O)N(CC2CCC(F)(F)C2)C1.
What is the InChIKey of 1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid?
The InChIKey is DCFBZCCGIYLMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3/c13-12(14)4-3-8(5-12)6-15-7-9(11(17)18)1-2-10(15)16/h8-9H,1-7H2,(H,17,18).
What are the key properties of 1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid?
1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid has a molecular weight of 261.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclopentyl)methyl]-6-oxopiperidine-3-carboxylic acid is sourced from PubChem (CID 114224210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).