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

C13H22N2O3 — CID 79310151

IUPAC1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid
SMILESCCCC1(C(=O)N2CC(C(=O)O)C2)CCNCC1
InChIInChI=1S/C13H22N2O3/c1-2-3-13(4-6-14-7-5-13)12(18)15-8-10(9-15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyNYEBESLKEQLFEZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.70
Rot. Bonds4

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

1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid (PubChem CID 79310151) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid
PubChem CID79310151
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid
SMILESCCCC1(C(=O)N2CC(C(=O)O)C2)CCNCC1
InChIInChI=1S/C13H22N2O3/c1-2-3-13(4-6-14-7-5-13)12(18)15-8-10(9-15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17)
InChIKeyNYEBESLKEQLFEZ-UHFFFAOYSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-propylpyrrolidine-3-carbonyl)azetidine-3-carboxylic acid
CID 79308921
[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-(4-propylpiperidin-4-yl)methanone
CID 81465453
(2S)-1-(4-propylpiperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 66264087
(3-ethyl-3-hydroxyazetidin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 107219522
2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79612982
(4-ethylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127823
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 120658201
(1-oxo-1,4-thiazinan-4-yl)-(4-propylpiperidin-4-yl)methanone
CID 63129218
(4-propylpiperazin-1-yl)-(4-propylpiperidin-4-yl)methanone
CID 63127821
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
4-(4-propylpiperidine-4-carbonyl)piperazine-1-sulfonamide
CID 63128829
4-methoxy-1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 63128767

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid (CID 79310151) is 1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid is CCCC1(C(=O)N2CC(C(=O)O)C2)CCNCC1.
What is the InChIKey of 1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid?
The InChIKey is NYEBESLKEQLFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-3-13(4-6-14-7-5-13)12(18)15-8-10(9-15)11(16)17/h10,14H,2-9H2,1H3,(H,16,17).
What are the key properties of 1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid?
1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperidine-4-carbonyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 79310151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).