3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid

C15H26N2O3S — CID 66421306

IUPAC3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)CC2CSCCN2)C1
InChIInChI=1S/C15H26N2O3S/c1-2-4-15(14(19)20)5-3-7-17(11-15)13(18)9-12-10-21-8-6-16-12/h12,16H,2-11H2,1H3,(H,19,20)
InChIKeyYALXDFFGTIQXST-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.58
Rot. Bonds5

About 3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid

3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid (PubChem CID 66421306) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid
PubChem CID66421306
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN(C(=O)CC2CSCCN2)C1
InChIInChI=1S/C15H26N2O3S/c1-2-4-15(14(19)20)5-3-7-17(11-15)13(18)9-12-10-21-8-6-16-12/h12,16H,2-11H2,1H3,(H,19,20)
InChIKeyYALXDFFGTIQXST-UHFFFAOYSA-N
XLogP1.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclopropylacetyl)-3-propylpiperidine-3-carboxylic acid
CID 63134594
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(3-amino-3-methylbutanoyl)-3-propylpiperidine-3-carboxylic acid
CID 64676856
(3R)-3-propyl-1-(2-pyrrolidin-1-ylacetyl)piperidine-3-carboxylic acid
CID 97144655
2-methyl-1-(2-thiomorpholin-3-ylacetyl)pyrrolidine-2-carboxylic acid
CID 66421314
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-(3-piperidin-2-ylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144926
3-propyl-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxylic acid
CID 63138206
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-[(2S)-piperidine-2-carbonyl]-3-propylpiperidine-3-carboxylic acid
CID 104913910
1-(piperazine-1-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63136426

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid (CID 66421306) is 3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid is CCCC1(C(=O)O)CCCN(C(=O)CC2CSCCN2)C1.
What is the InChIKey of 3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid?
The InChIKey is YALXDFFGTIQXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-2-4-15(14(19)20)5-3-7-17(11-15)13(18)9-12-10-21-8-6-16-12/h12,16H,2-11H2,1H3,(H,19,20).
What are the key properties of 3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid?
3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid has a molecular weight of 314.45 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(2-thiomorpholin-3-ylacetyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 66421306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).