(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione

C18H24N4O3 — CID 165424938

IUPAC(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESC[C@H]1C(=O)N(CCCN2CCCC2=O)CC(=O)N1Cc1ccccn1
InChIInChI=1S/C18H24N4O3/c1-14-18(25)21(11-5-10-20-9-4-7-16(20)23)13-17(24)22(14)12-15-6-2-3-8-19-15/h2-3,6,8,14H,4-5,7,9-13H2,1H3/t14-/m0/s1
InChIKeyGGIBZXJMBBRPNS-AWEZNQCLSA-N
MW344.42 g/mol
LogP0.65
Rot. Bonds6

About (3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione

(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione (PubChem CID 165424938) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is (3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
PubChem CID165424938
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
SMILESC[C@H]1C(=O)N(CCCN2CCCC2=O)CC(=O)N1Cc1ccccn1
InChIInChI=1S/C18H24N4O3/c1-14-18(25)21(11-5-10-20-9-4-7-16(20)23)13-17(24)22(14)12-15-6-2-3-8-19-15/h2-3,6,8,14H,4-5,7,9-13H2,1H3/t14-/m0/s1
InChIKeyGGIBZXJMBBRPNS-AWEZNQCLSA-N
XLogP0.65
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione with MolForge

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Related Compounds

(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
(3S)-3-methyl-4-[(3-methylphenyl)methyl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 165423646
(3S)-4-[(3-chlorophenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 164698761
(3S)-4-[(5-fluoro-2-methylphenyl)methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 165425264
(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
CID 165418936
(3S)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperazine-2,5-dione
CID 165426313
(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione
CID 165421687
3-(methylamino)-4-methylidene-1-(pyridin-2-ylmethyl)azepan-2-one
CID 89340854
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2-pyridin-2-ylethyl)guanidine
CID 111023101
(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 166620028
1-[2-[methyl-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]amino]ethyl]pyrrolidin-2-one
CID 96567368

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of (3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione (CID 165424938) is (3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione is C[C@H]1C(=O)N(CCCN2CCCC2=O)CC(=O)N1Cc1ccccn1.
What is the InChIKey of (3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is GGIBZXJMBBRPNS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-14-18(25)21(11-5-10-20-9-4-7-16(20)23)13-17(24)22(14)12-15-6-2-3-8-19-15/h2-3,6,8,14H,4-5,7,9-13H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione?
(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 344.42 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 165424938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).