(4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C18H26N4O3 — CID 95734723

IUPAC(4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)c1nc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)no1
InChIInChI=1S/C18H26N4O3/c1-11(2)17-19-16(20-25-17)12-4-3-7-21(9-12)18(24)13-8-15(23)22(10-13)14-5-6-14/h11-14H,3-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyPHLCGBQQSQWLFX-OLZOCXBDSA-N
MW346.43 g/mol
LogP1.91
Rot. Bonds4

About (4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one

(4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95734723) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID95734723
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCC(C)c1nc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)no1
InChIInChI=1S/C18H26N4O3/c1-11(2)17-19-16(20-25-17)12-4-3-7-21(9-12)18(24)13-8-15(23)22(10-13)14-5-6-14/h11-14H,3-10H2,1-2H3/t12-,13+/m1/s1
InChIKeyPHLCGBQQSQWLFX-OLZOCXBDSA-N
XLogP1.91
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 95734723) is (4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CC4)C3)C2)no1.
What is the InChIKey of (4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is PHLCGBQQSQWLFX-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-11(2)17-19-16(20-25-17)12-4-3-7-21(9-12)18(24)13-8-15(23)22(10-13)14-5-6-14/h11-14H,3-10H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
(4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 346.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-cyclopropyl-4-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95734723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).