4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid

C14H23N3O3 — CID 63126636

IUPAC4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCCCc1noc(CN2CCC(CC)(C(=O)O)CC2)n1
InChIInChI=1S/C14H23N3O3/c1-3-5-11-15-12(20-16-11)10-17-8-6-14(4-2,7-9-17)13(18)19/h3-10H2,1-2H3,(H,18,19)
InChIKeyMQBUSZNNBCCJBK-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.10
Rot. Bonds6

About 4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid

4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 63126636) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
PubChem CID63126636
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
SMILESCCCc1noc(CN2CCC(CC)(C(=O)O)CC2)n1
InChIInChI=1S/C14H23N3O3/c1-3-5-11-15-12(20-16-11)10-17-8-6-14(4-2,7-9-17)13(18)19/h3-10H2,1-2H3,(H,18,19)
InChIKeyMQBUSZNNBCCJBK-UHFFFAOYSA-N
XLogP2.10
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-ethylpiperidine-3-carboxylic acid
CID 63137572
morpholin-4-yl-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 134038915
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984320
ethyl 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 60722255
1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 119923360
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 86919634
3-methyl-1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-3-carboxylic acid
CID 55166735
4-[4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 30596664
morpholin-4-yl-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 56706828
methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038420
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid (CID 63126636) is 4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid is CCCc1noc(CN2CCC(CC)(C(=O)O)CC2)n1.
What is the InChIKey of 4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is MQBUSZNNBCCJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-5-11-15-12(20-16-11)10-17-8-6-14(4-2,7-9-17)13(18)19/h3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid?
4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 63126636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).