(2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid

C14H21F2NO3 — CID 155956904

IUPAC(2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H21F2NO3/c15-14(16)6-3-4-10(9-14)8-12(18)17-7-2-1-5-11(17)13(19)20/h10-11H,1-9H2,(H,19,20)/t10?,11-/m1/s1
InChIKeySXZRVZZUQUGJJO-RRKGBCIJSA-N
MW289.32 g/mol
LogP2.67
Rot. Bonds3

About (2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid

(2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid (PubChem CID 155956904) has the molecular formula C14H21F2NO3 and a molecular weight of 289.32 g/mol. Its IUPAC name is (2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid
PubChem CID155956904
Molecular FormulaC14H21F2NO3
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name(2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)CC1CCCC(F)(F)C1
InChIInChI=1S/C14H21F2NO3/c15-14(16)6-3-4-10(9-14)8-12(18)17-7-2-1-5-11(17)13(19)20/h10-11H,1-9H2,(H,19,20)/t10?,11-/m1/s1
InChIKeySXZRVZZUQUGJJO-RRKGBCIJSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[2-(1-aminocyclobutyl)acetyl]piperidine-2-carboxylic acid
CID 79854851
(2R)-1-(2-aminoacetyl)piperidine-2-carboxylic acid
CID 79034620
1-[2-(1,1-dioxothiolan-3-yl)acetyl]piperidine-2-carboxylic acid
CID 43649109
(2S)-1-(2-phosphonoacetyl)piperidine-2-carboxylic acid
CID 67943687
1-[2-[1-(aminomethyl)cyclobutyl]acetyl]azepane-2-carboxylic acid
CID 81169332
1-(2-pyrrolidin-1-ylacetyl)piperidine-2-carboxylic acid
CID 68753456
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872
1-(3-aminobutanoyl)piperidine-2-carboxylic acid
CID 61156814
1-(4-cyclopentylbutanoyl)pyrrolidine-2-carboxylic acid
CID 119356339
1-(3-aminopropanoyl)azepane-2-carboxylic acid
CID 64564266
1-[2-(dimethylamino)acetyl]piperidine-2-carboxylic acid
CID 79018258
(2R)-1-[2-[1-(aminomethyl)cyclohexyl]acetyl]piperidine-2-carboxylic acid
CID 103871056

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid (CID 155956904) is (2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)CC1CCCC(F)(F)C1.
What is the InChIKey of (2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is SXZRVZZUQUGJJO-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H21F2NO3/c15-14(16)6-3-4-10(9-14)8-12(18)17-7-2-1-5-11(17)13(19)20/h10-11H,1-9H2,(H,19,20)/t10?,11-/m1/s1.
What are the key properties of (2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid?
(2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 289.32 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3,3-difluorocyclohexyl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 155956904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).