(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid

C13H17NO3S — CID 119173609

IUPAC(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)CCc2ccsc2)C1
InChIInChI=1S/C13H17NO3S/c15-12(4-3-10-5-7-18-9-10)14-6-1-2-11(8-14)13(16)17/h5,7,9,11H,1-4,6,8H2,(H,16,17)/t11-/m0/s1
InChIKeyOLUIMNMOXYGYHZ-NSHDSACASA-N
MW267.35 g/mol
LogP2.00
Rot. Bonds4

About (3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid

(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 119173609) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is (3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
PubChem CID119173609
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCCN(C(=O)CCc2ccsc2)C1
InChIInChI=1S/C13H17NO3S/c15-12(4-3-10-5-7-18-9-10)14-6-1-2-11(8-14)13(16)17/h5,7,9,11H,1-4,6,8H2,(H,16,17)/t11-/m0/s1
InChIKeyOLUIMNMOXYGYHZ-NSHDSACASA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[3-(4-methylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 81118292
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355929
1-[(3S)-3-aminopyrrolidin-1-yl]-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119934516
1-(3-aminopyrrolidin-1-yl)-3-thiophen-3-ylpropan-1-one;hydrochloride
CID 119482531
(3S)-1-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 119136450
(3R)-1-[3-[4-(trifluoromethyl)phenyl]propanoyl]piperidine-3-carboxylic acid
CID 124576632
1-[3-(3,4-dimethylphenyl)propanoyl]piperidine-3-carboxylic acid
CID 84613853
(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174270
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(2R)-1-(3-thiophen-3-ylpropanoyl)piperidine-2-carboxylic acid
CID 75518225
(3R)-1-(2-thiophen-3-ylacetyl)piperidine-3-carboxamide
CID 94164984

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid (CID 119173609) is (3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid is O=C(O)[C@H]1CCCN(C(=O)CCc2ccsc2)C1.
What is the InChIKey of (3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is OLUIMNMOXYGYHZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(4-3-10-5-7-18-9-10)14-6-1-2-11(8-14)13(16)17/h5,7,9,11H,1-4,6,8H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid?
(3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-thiophen-3-ylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119173609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).