(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one

C14H20N4O4 — CID 54163508

IUPAC(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)C2CNCCN2C(=O)[C@@H]2CCC(=O)N2)N1
InChIInChI=1S/C14H20N4O4/c19-11-3-1-8(16-11)13(21)10-7-15-5-6-18(10)14(22)9-2-4-12(20)17-9/h8-10,15H,1-7H2,(H,16,19)(H,17,20)/t8-,9-,10?/m0/s1
InChIKeyOQBHHVBQZOYQAN-XMCUXHSSSA-N
MW308.34 g/mol
LogP-2.09
Rot. Bonds3

About (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one

(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one (PubChem CID 54163508) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one
PubChem CID54163508
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)C2CNCCN2C(=O)[C@@H]2CCC(=O)N2)N1
InChIInChI=1S/C14H20N4O4/c19-11-3-1-8(16-11)13(21)10-7-15-5-6-18(10)14(22)9-2-4-12(20)17-9/h8-10,15H,1-7H2,(H,16,19)(H,17,20)/t8-,9-,10?/m0/s1
InChIKeyOQBHHVBQZOYQAN-XMCUXHSSSA-N
XLogP-2.09
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(2S)-1-[(2S)-1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 134138041
H-DL-Pyr-DL-Asn-DL-Pro-NHcHex
CID 10295728
5-[4-(2-Oxo-2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053743
5-[4-(2-Pyrrolidin-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053748
5-[4-(2-Pyrrolidin-1-ylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053750
1,6-Bis(5-oxopyrrolidin-2-yl)hexane-1,6-dione
CID 19796153
(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,4-diazepane-2-carbonyl]pyrrolidin-2-one
CID 54496050
2-[2-[4-(5-Oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide
CID 57151082
2,4-Diamino-1,5-bis(5-oxopyrrolidin-2-yl)pentane-1,5-dione
CID 57285892
H-DL-Pyr-DL-Asn-DL-Pro-piperazide
CID 59716250
(4S)-4-amino-5-[5-[(2S)-2,5-diamino-5-oxopentanoyl]-3,6-dioxopiperazin-2-yl]-5-oxopentanamide
CID 66840253
1-[2-[4-(5-Oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide
CID 67916876

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one (CID 54163508) is (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)C2CNCCN2C(=O)[C@@H]2CCC(=O)N2)N1.
What is the InChIKey of (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one?
The InChIKey is OQBHHVBQZOYQAN-XMCUXHSSSA-N. The full InChI is InChI=1S/C14H20N4O4/c19-11-3-1-8(16-11)13(21)10-7-15-5-6-18(10)14(22)9-2-4-12(20)17-9/h8-10,15H,1-7H2,(H,16,19)(H,17,20)/t8-,9-,10?/m0/s1.
What are the key properties of (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one?
(5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one has a molecular weight of 308.34 g/mol, XLogP of -2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperazine-2-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 54163508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).