1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid

C16H23N3O4 — CID 167988619

IUPAC1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCc2nc(C3CCCC3)no2)CC1
InChIInChI=1S/C16H23N3O4/c20-14(19-9-7-12(8-10-19)16(21)22)6-5-13-17-15(18-23-13)11-3-1-2-4-11/h11-12H,1-10H2,(H,21,22)
InChIKeyPCTRSHIGUIYIMS-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.98
Rot. Bonds5

About 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid

1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 167988619) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID167988619
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)CCc2nc(C3CCCC3)no2)CC1
InChIInChI=1S/C16H23N3O4/c20-14(19-9-7-12(8-10-19)16(21)22)6-5-13-17-15(18-23-13)11-3-1-2-4-11/h11-12H,1-10H2,(H,21,22)
InChIKeyPCTRSHIGUIYIMS-UHFFFAOYSA-N
XLogP1.98
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 166211937
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 65390508
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 120997409
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 64982441
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 65390511
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346459
6-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174670
(3S)-2-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125136931
3-cyclopentyl-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-1-one
CID 91918900
methyl 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylate
CID 43431164
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1-(3-cyclopropyl-7-oxa-2-azaspiro[3.5]nonan-2-yl)propan-1-one
CID 128538430
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylic acid
CID 56686775

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid (CID 167988619) is 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)CCc2nc(C3CCCC3)no2)CC1.
What is the InChIKey of 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is PCTRSHIGUIYIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c20-14(19-9-7-12(8-10-19)16(21)22)6-5-13-17-15(18-23-13)11-3-1-2-4-11/h11-12H,1-10H2,(H,21,22).
What are the key properties of 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid?
1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 167988619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).