(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid

C15H14FNO3S — CID 51888649

IUPAC(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1
InChIInChI=1S/C15H14FNO3S/c16-11-4-1-5-12-10(11)7-13(21-12)14(18)17-6-2-3-9(8-17)15(19)20/h1,4-5,7,9H,2-3,6,8H2,(H,19,20)/t9-/m1/s1
InChIKeyUMYUEDFVUBJZBT-SECBINFHSA-N
MW307.35 g/mol
LogP2.98
Rot. Bonds2

About (3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid

(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid (PubChem CID 51888649) has the molecular formula C15H14FNO3S and a molecular weight of 307.35 g/mol. Its IUPAC name is (3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
PubChem CID51888649
Molecular FormulaC15H14FNO3S
Molecular Weight307.35 g/mol
Exact Mass307.07
IUPAC Name(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1
InChIInChI=1S/C15H14FNO3S/c16-11-4-1-5-12-10(11)7-13(21-12)14(18)17-6-2-3-9(8-17)15(19)20/h1,4-5,7,9H,2-3,6,8H2,(H,19,20)/t9-/m1/s1
InChIKeyUMYUEDFVUBJZBT-SECBINFHSA-N
XLogP2.98
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-4-carboxylate
CID 51153857
(4-fluoro-1-benzothiophen-2-yl)-(2-phenylmorpholin-4-yl)methanone
CID 43057357
(3S)-1-(3-fluoro-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 122107144
(1,1-dioxo-1,4-thiazinan-4-yl)-(4-fluoro-1-benzothiophen-2-yl)methanone
CID 84583540
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
[4-(4-fluoro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51144873
1-(2-fluoro-6-methoxybenzoyl)piperidine-3-carboxylic acid
CID 65432629
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
[(3S)-1-(1-benzothiophene-2-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 69453906
(3S)-1-(3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 68819817
1-(3-chloro-2-fluorobenzoyl)piperidine-3-carboxylic acid
CID 81266012
methyl (3S)-1-(1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919503

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid (CID 51888649) is (3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1.
What is the InChIKey of (3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is UMYUEDFVUBJZBT-SECBINFHSA-N. The full InChI is InChI=1S/C15H14FNO3S/c16-11-4-1-5-12-10(11)7-13(21-12)14(18)17-6-2-3-9(8-17)15(19)20/h1,4-5,7,9H,2-3,6,8H2,(H,19,20)/t9-/m1/s1.
What are the key properties of (3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid?
(3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluoro-1-benzothiophene-2-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 51888649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).