1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

C14H20N4O3 — CID 124760800

IUPAC1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CC[C@H](c3ncon3)C2)CC1
InChIInChI=1S/C14H20N4O3/c1-10(19)17-5-2-11(3-6-17)14(20)18-7-4-12(8-18)13-15-9-21-16-13/h9,11-12H,2-8H2,1H3/t12-/m0/s1
InChIKeyPFRPGQAIPJASEI-LBPRGKRZSA-N
MW292.34 g/mol
LogP0.64
Rot. Bonds2

About 1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 124760800) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID124760800
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CC[C@H](c3ncon3)C2)CC1
InChIInChI=1S/C14H20N4O3/c1-10(19)17-5-2-11(3-6-17)14(20)18-7-4-12(8-18)13-15-9-21-16-13/h9,11-12H,2-8H2,1H3/t12-/m0/s1
InChIKeyPFRPGQAIPJASEI-LBPRGKRZSA-N
XLogP0.64
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 121019590
2-ethoxy-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124760303
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019588
(2-methylpyrazol-3-yl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124725379
1,3-dioxolan-2-yl-[4-(1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 166301319
2-[3-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 118775112
2-(2-methoxyphenyl)-1-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 124891776
5-[4-(1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 118779827
(3,4-difluorophenyl)-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124759582
[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 124891749
(3,4-difluorophenyl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 119102318
(5-methyl-1-phenylpyrazol-4-yl)-[(3R)-3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 124892044

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone (CID 124760800) is 1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CC[C@H](c3ncon3)C2)CC1.
What is the InChIKey of 1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is PFRPGQAIPJASEI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10(19)17-5-2-11(3-6-17)14(20)18-7-4-12(8-18)13-15-9-21-16-13/h9,11-12H,2-8H2,1H3/t12-/m0/s1.
What are the key properties of 1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 292.34 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-3-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124760800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).