(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid

C16H18FNO3 — CID 66264111

IUPAC(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FNO3/c17-12-6-4-11(5-7-12)16(8-9-16)15(21)18-10-2-1-3-13(18)14(19)20/h4-7,13H,1-3,8-10H2,(H,19,20)/t13-/m0/s1
InChIKeyCIOBACYQLAFWAI-ZDUSSCGKSA-N
MW291.32 g/mol
LogP2.32
Rot. Bonds3

About (2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid

(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid (PubChem CID 66264111) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is (2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
PubChem CID66264111
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Name(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H18FNO3/c17-12-6-4-11(5-7-12)16(8-9-16)15(21)18-10-2-1-3-13(18)14(19)20/h4-7,13H,1-3,8-10H2,(H,19,20)/t13-/m0/s1
InChIKeyCIOBACYQLAFWAI-ZDUSSCGKSA-N
XLogP2.32
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylic acid
CID 78922091
(2R)-1-[1-(4-aminophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 103930599
1-(1-phenylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
CID 43239493
methyl 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 43423447
(2R,4R)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000232
[1-(4-fluorophenyl)cyclopropyl]-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129427533
1-[3-(4-fluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 43241961
(2R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 124577107
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 4892293
[2-(hydroxymethyl)piperidin-1-yl]-(1-phenylcyclobutyl)methanone
CID 43421113
[2-(methylaminomethyl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 63249167
[1-(4-fluorophenyl)cyclopropyl]-[2-(4-methyl-1,2,5-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72935420

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid (CID 66264111) is (2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
The InChIKey is CIOBACYQLAFWAI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18FNO3/c17-12-6-4-11(5-7-12)16(8-9-16)15(21)18-10-2-1-3-13(18)14(19)20/h4-7,13H,1-3,8-10H2,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid?
(2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid has a molecular weight of 291.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66264111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).