4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid

C14H24N2O3S — CID 82906430

IUPAC4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid
SMILESCCCC1CCN(C(=O)N2CCSCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O3S/c1-2-3-11-4-6-15(7-5-11)14(19)16-8-9-20-10-12(16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyXTQAOGPVZYNCMW-UHFFFAOYSA-N
MW300.42 g/mol
LogP2.12
Rot. Bonds3

About 4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid

4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid (PubChem CID 82906430) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid
PubChem CID82906430
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid
SMILESCCCC1CCN(C(=O)N2CCSCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O3S/c1-2-3-11-4-6-15(7-5-11)14(19)16-8-9-20-10-12(16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18)
InChIKeyXTQAOGPVZYNCMW-UHFFFAOYSA-N
XLogP2.12
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(4-propylazepane-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78992815
4-[4-(trifluoromethyl)piperidine-1-carbonyl]thiomorpholine-3-carboxylic acid
CID 82905310
4-(4-methyl-1,4-diazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904538
4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82905305
4-(8-azaspiro[4.5]decane-8-carbonyl)thiomorpholine-3-carboxylic acid
CID 82902989
4-[(2R)-2-aminopentanoyl]thiomorpholine-3-carboxylic acid
CID 107570416
4-(2-ethylazepane-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 104691036
4-[(2-propylcyclopropyl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 114111525
4-(2-ethoxycarbonylpyrrolidine-1-carbonyl)thiomorpholine-3-carboxylic acid
CID 82902421
1-(4-propylpiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 55151760
(2S)-1-(4-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61421804
(4R)-3-(4-tert-butylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62084194

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid?
The IUPAC name of 4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid (CID 82906430) is 4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid?
The canonical SMILES for 4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid is CCCC1CCN(C(=O)N2CCSCC2C(=O)O)CC1.
What is the InChIKey of 4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid?
The InChIKey is XTQAOGPVZYNCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-2-3-11-4-6-15(7-5-11)14(19)16-8-9-20-10-12(16)13(17)18/h11-12H,2-10H2,1H3,(H,17,18).
What are the key properties of 4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid?
4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid has a molecular weight of 300.42 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylpiperidine-1-carbonyl)thiomorpholine-3-carboxylic acid is sourced from PubChem (CID 82906430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).