3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C14H23N3O3S — CID 61159483

IUPAC3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H23N3O3S/c18-13(17-9-21-8-12(17)14(19)20)11-2-1-7-16(11)10-3-5-15-6-4-10/h10-12,15H,1-9H2,(H,19,20)
InChIKeyGNMQZAQKYLEEEB-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.19
Rot. Bonds3

About 3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61159483) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61159483
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)C1CCCN1C1CCNCC1
InChIInChI=1S/C14H23N3O3S/c18-13(17-9-21-8-12(17)14(19)20)11-2-1-7-16(11)10-3-5-15-6-4-10/h10-12,15H,1-9H2,(H,19,20)
InChIKeyGNMQZAQKYLEEEB-UHFFFAOYSA-N
XLogP0.19
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
(2-methylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020224
(4R)-3-[1-(2,2-dimethylpropanoyl)pyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61143191
[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020228
piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone
CID 54981939
(4,4-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 62931613
[(3S)-3-hydroxypiperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 107222957
2-[1-(1-piperidin-4-ylpyrrolidine-2-carbonyl)azetidin-3-yl]acetic acid
CID 64604814
(4R)-3-(1-propylsulfonylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61145275
3-(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43172138
1-(1-piperidin-4-ylpyrrolidin-2-yl)prop-2-en-1-one
CID 116559700
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902

Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61159483) is 3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)C1CCCN1C1CCNCC1.
What is the InChIKey of 3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is GNMQZAQKYLEEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c18-13(17-9-21-8-12(17)14(19)20)11-2-1-7-16(11)10-3-5-15-6-4-10/h10-12,15H,1-9H2,(H,19,20).
What are the key properties of 3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 313.42 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-4-ylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61159483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).