(5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one

C12H20N4O2 — CID 114039581

IUPAC(5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(C3CNC3)CC2)N1
InChIInChI=1S/C12H20N4O2/c17-11-2-1-10(14-11)12(18)16-5-3-15(4-6-16)9-7-13-8-9/h9-10,13H,1-8H2,(H,14,17)/t10-/m1/s1
InChIKeyFHEZTKHMQKVGQB-SNVBAGLBSA-N
MW252.32 g/mol
LogP-1.62
Rot. Bonds2

About (5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one

(5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 114039581) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID114039581
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@H](C(=O)N2CCN(C3CNC3)CC2)N1
InChIInChI=1S/C12H20N4O2/c17-11-2-1-10(14-11)12(18)16-5-3-15(4-6-16)9-7-13-8-9/h9-10,13H,1-8H2,(H,14,17)/t10-/m1/s1
InChIKeyFHEZTKHMQKVGQB-SNVBAGLBSA-N
XLogP-1.62
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110799961
N-ethyl-4-(5-oxopyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 146126018
5-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-one
CID 43556218
5-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110689654
(3S)-3-(4-cyclohexylpiperazine-1-carbonyl)-1,4-thiazepan-5-one
CID 95986484
(5R)-5-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 103782617
5-(4-methylsulfonylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 90586478
5-[4-[(E)-3-phenylprop-2-enoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053735
5-(1,3-oxazolidine-3-carbonyl)pyrrolidin-2-one
CID 110746563
5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053726
(5S)-5-[(2R)-2-methylpiperazine-1-carbonyl]pyrrolidin-2-one
CID 94545844

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 114039581) is (5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@H](C(=O)N2CCN(C3CNC3)CC2)N1.
What is the InChIKey of (5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is FHEZTKHMQKVGQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H20N4O2/c17-11-2-1-10(14-11)12(18)16-5-3-15(4-6-16)9-7-13-8-9/h9-10,13H,1-8H2,(H,14,17)/t10-/m1/s1.
What are the key properties of (5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one?
(5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 252.32 g/mol, XLogP of -1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-(azetidin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 114039581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).