(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione

C15H21N3O3 — CID 166620028

IUPAC(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cc(OC)ccn2)[C@@H](C)C1=O
InChIInChI=1S/C15H21N3O3/c1-4-7-17-10-14(19)18(11(2)15(17)20)9-12-8-13(21-3)5-6-16-12/h5-6,8,11H,4,7,9-10H2,1-3H3/t11-/m0/s1
InChIKeyZCIPEXPIXMLCKW-NSHDSACASA-N
MW291.35 g/mol
LogP1.06
Rot. Bonds5

About (3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione

(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione (PubChem CID 166620028) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
PubChem CID166620028
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cc(OC)ccn2)[C@@H](C)C1=O
InChIInChI=1S/C15H21N3O3/c1-4-7-17-10-14(19)18(11(2)15(17)20)9-12-8-13(21-3)5-6-16-12/h5-6,8,11H,4,7,9-10H2,1-3H3/t11-/m0/s1
InChIKeyZCIPEXPIXMLCKW-NSHDSACASA-N
XLogP1.06
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione with MolForge

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Related Compounds

(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione
CID 165421687
(3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165425764
(3S)-4-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165418780
(3S)-1-[(4-methoxyphenyl)methyl]-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazine-2,5-dione
CID 165421540
(3S)-4-[(3,4-dimethylphenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165420754
(3R)-3-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1-propylpiperazine-2,5-dione
CID 165417469
(3S)-4-[(3-chloro-5-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165426838
(3R)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 164687936
(3S)-1-benzyl-3-methyl-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424137
(3R)-4-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165422583
(3R)-3-methyl-4-[(2-phenylphenyl)methyl]-1-propylpiperazine-2,5-dione
CID 165420358
(3S)-3-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 165424938

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The IUPAC name of (3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione (CID 166620028) is (3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The canonical SMILES for (3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2cc(OC)ccn2)[C@@H](C)C1=O.
What is the InChIKey of (3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The InChIKey is ZCIPEXPIXMLCKW-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N3O3/c1-4-7-17-10-14(19)18(11(2)15(17)20)9-12-8-13(21-3)5-6-16-12/h5-6,8,11H,4,7,9-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione has a molecular weight of 291.35 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 166620028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).