1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one

C17H26N4O3 — CID 136561544

IUPAC1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CCC(Cc3ncon3)CC2)CC1=O
InChIInChI=1S/C17H26N4O3/c1-12(2)9-21-10-14(8-16(21)22)17(23)20-5-3-13(4-6-20)7-15-18-11-24-19-15/h11-14H,3-10H2,1-2H3
InChIKeyYKCGTJCAKFRTHM-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.36
Rot. Bonds5

About 1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one

1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 136561544) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID136561544
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)CN1CC(C(=O)N2CCC(Cc3ncon3)CC2)CC1=O
InChIInChI=1S/C17H26N4O3/c1-12(2)9-21-10-14(8-16(21)22)17(23)20-5-3-13(4-6-20)7-15-18-11-24-19-15/h11-14H,3-10H2,1-2H3
InChIKeyYKCGTJCAKFRTHM-UHFFFAOYSA-N
XLogP1.36
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-1-(2-methylpropyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 36982278
(4R)-4-[4-(1-butylimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 97274448
(4R)-4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37071019
2-ethyl-5-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]-4H-pyrazol-3-one
CID 166269655
(4S)-1-(2-methylpropyl)-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95710712
(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37023966
4-[4-(4-ethylbenzoyl)piperazine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 46597771
1-(2-methylpropyl)-4-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl)pyrrolidin-2-one
CID 50983712
(4S)-1-(2-methylpropyl)-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 94068955
4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 96574415
1-[1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]piperidine-2-carboxylic acid
CID 43356008
4-(3-ethynyl-3-fluoroazetidine-1-carbonyl)-1-(2-methylpropyl)pyrrolidin-2-one
CID 136559360

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 136561544) is 1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is CC(C)CN1CC(C(=O)N2CCC(Cc3ncon3)CC2)CC1=O.
What is the InChIKey of 1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is YKCGTJCAKFRTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12(2)9-21-10-14(8-16(21)22)17(23)20-5-3-13(4-6-20)7-15-18-11-24-19-15/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 334.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[4-(1,2,4-oxadiazol-3-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 136561544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).