1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid

C14H21N3O3 — CID 63137128

IUPAC1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C14H21N3O3/c1-2-14(13(18)19)6-3-7-17(9-14)8-11-15-12(20-16-11)10-4-5-10/h10H,2-9H2,1H3,(H,18,19)
InChIKeyLUAKSCOXJCHMCG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.02
Rot. Bonds5

About 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid (PubChem CID 63137128) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
PubChem CID63137128
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCCN(Cc2noc(C3CC3)n2)C1
InChIInChI=1S/C14H21N3O3/c1-2-14(13(18)19)6-3-7-17(9-14)8-11-15-12(20-16-11)10-4-5-10/h10H,2-9H2,1H3,(H,18,19)
InChIKeyLUAKSCOXJCHMCG-UHFFFAOYSA-N
XLogP2.02
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55164811
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137572
[(3S)-3-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanol
CID 97128686
1-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 56906304
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-methylpyrrolidin-3-ol
CID 103728887
2-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 79606646
(5S)-7-cyclohexyl-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97115757
11-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3,8-dioxa-11-azaspiro[5.6]dodecane
CID 86788406
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 54595428
(4S)-8-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97119499
(3S,4R)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 115278431
3-ethyl-1-[(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 81318651

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid (CID 63137128) is 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid is CCC1(C(=O)O)CCCN(Cc2noc(C3CC3)n2)C1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid?
The InChIKey is LUAKSCOXJCHMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-14(13(18)19)6-3-7-17(9-14)8-11-15-12(20-16-11)10-4-5-10/h10H,2-9H2,1H3,(H,18,19).
What are the key properties of 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid?
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).