(5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one

C9H15N3O2 — CID 174853475

IUPAC(5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)[C@H]2CNCCN2)N1
InChIInChI=1S/C9H15N3O2/c13-8-2-1-6(12-8)9(14)7-5-10-3-4-11-7/h6-7,10-11H,1-5H2,(H,12,13)/t6-,7+/m0/s1
InChIKeyVAOGIFNVXWTIEJ-NKWVEPMBSA-N
MW197.24 g/mol
LogP-1.60
Rot. Bonds2

About (5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one

(5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one (PubChem CID 174853475) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is (5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one
PubChem CID174853475
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name(5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)[C@H]2CNCCN2)N1
InChIInChI=1S/C9H15N3O2/c13-8-2-1-6(12-8)9(14)7-5-10-3-4-11-7/h6-7,10-11H,1-5H2,(H,12,13)/t6-,7+/m0/s1
InChIKeyVAOGIFNVXWTIEJ-NKWVEPMBSA-N
XLogP-1.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

chromium;tris((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 170846266
(2R)-5-oxopyrrolidine-2-carbonyl iodide
CID 89494882
(2S)-5-oxo-N-[(3S)-pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 93216020
(5S)-5-(1,3-thiazolidine-2-carbonyl)pyrrolidin-2-one
CID 20830000
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
piperazine-2-carboxylic acid
CID 2723758
iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 90659612
(2S)-5-oxopyrrolidine-2-carboxylate
CID 5289118
5-oxopyrrolidine-2-carboxylic acid;dihydrate
CID 175519070
piperazine-2-carboxylic acid;hydrochloride
CID 52987850
(2R)-5-oxo-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 103805383

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one (CID 174853475) is (5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)[C@H]2CNCCN2)N1.
What is the InChIKey of (5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one?
The InChIKey is VAOGIFNVXWTIEJ-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H15N3O2/c13-8-2-1-6(12-8)9(14)7-5-10-3-4-11-7/h6-7,10-11H,1-5H2,(H,12,13)/t6-,7+/m0/s1.
What are the key properties of (5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one?
(5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one has a molecular weight of 197.24 g/mol, XLogP of -1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-piperazine-2-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 174853475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).