2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid

C15H26N2O3S — CID 66444964

IUPAC2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESCCCC1(C(=O)N2CCSCC2CC(=O)O)CCCNC1
InChIInChI=1S/C15H26N2O3S/c1-2-4-15(5-3-6-16-11-15)14(20)17-7-8-21-10-12(17)9-13(18)19/h12,16H,2-11H2,1H3,(H,18,19)
InChIKeyXBYZUILYCGLWGV-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.58
Rot. Bonds5

About 2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid

2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid (PubChem CID 66444964) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
PubChem CID66444964
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid
SMILESCCCC1(C(=O)N2CCSCC2CC(=O)O)CCCNC1
InChIInChI=1S/C15H26N2O3S/c1-2-4-15(5-3-6-16-11-15)14(20)17-7-8-21-10-12(17)9-13(18)19/h12,16H,2-11H2,1H3,(H,18,19)
InChIKeyXBYZUILYCGLWGV-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

4-(3-propylpyrrolidine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904432
(4R)-3-(3-propylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63132013
3-[1-(3-propylpyrrolidine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 63142470
2-[4-[(3R)-piperidine-3-carbonyl]thiomorpholin-3-yl]acetic acid
CID 81134562
2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 55164770
1-(3-propylpiperidine-3-carbonyl)piperidine-2-carboxamide
CID 63131177
(3,5-dimethylpiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132443
(4-hydroxypiperidin-1-yl)-(3-propylpiperidin-3-yl)methanone
CID 63132180
4-(3-ethylpyrrolidine-3-carbonyl)thiomorpholine-3-carboxylic acid
CID 82904914
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl-(3-propylpiperidin-3-yl)methanone
CID 63135439
3-ethyl-4-(3-propylpiperidine-3-carbonyl)piperazin-2-one
CID 63600542
2-[4-[2-(1-aminocyclohexyl)acetyl]thiomorpholin-3-yl]acetic acid
CID 66442999

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid (CID 66444964) is 2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid is CCCC1(C(=O)N2CCSCC2CC(=O)O)CCCNC1.
What is the InChIKey of 2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid?
The InChIKey is XBYZUILYCGLWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-2-4-15(5-3-6-16-11-15)14(20)17-7-8-21-10-12(17)9-13(18)19/h12,16H,2-11H2,1H3,(H,18,19).
What are the key properties of 2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid?
2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic 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 2-[4-(3-propylpiperidine-3-carbonyl)thiomorpholin-3-yl]acetic acid is sourced from PubChem (CID 66444964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).