6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione

C16H23N3O2 — CID 64872578

IUPAC6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(Cc2cccnc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-4-6-13-16(21)19(10-12-7-5-8-17-9-12)14(11(2)3)15(20)18-13/h5,7-9,11,13-14H,4,6,10H2,1-3H3,(H,18,20)
InChIKeyZKTUQAIOYONLSW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.73
Rot. Bonds5

About 6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione

6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione (PubChem CID 64872578) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
PubChem CID64872578
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
SMILESCCCC1NC(=O)C(C(C)C)N(Cc2cccnc2)C1=O
InChIInChI=1S/C16H23N3O2/c1-4-6-13-16(21)19(10-12-7-5-8-17-9-12)14(11(2)3)15(20)18-13/h5,7-9,11,13-14H,4,6,10H2,1-3H3,(H,18,20)
InChIKeyZKTUQAIOYONLSW-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-methyl-6-propan-2-yl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 64901571
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64966326
3-ethyl-1-[(3-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64902986
1-[(3-chlorophenyl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64902797
6-propan-2-yl-3-propyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64873759
3-methyl-6-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64874084
3-ethyl-1-[(1-ethylpyrazol-4-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64903566
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252
3-methyl-1-[(6-methyl-3-pyridinyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64970066
1-(3-methoxypropyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872775
2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 74224086
3-propyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956276

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione (CID 64872578) is 6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione is CCCC1NC(=O)C(C(C)C)N(Cc2cccnc2)C1=O.
What is the InChIKey of 6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
The InChIKey is ZKTUQAIOYONLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-6-13-16(21)19(10-12-7-5-8-17-9-12)14(11(2)3)15(20)18-13/h5,7-9,11,13-14H,4,6,10H2,1-3H3,(H,18,20).
What are the key properties of 6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione?
6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione has a molecular weight of 289.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3-propyl-1-(pyridin-3-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64872578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).