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

C17H25N3O3 — CID 165425764

IUPAC(3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ncc(C)c(OC)c2C)[C@H](C)C1=O
InChIInChI=1S/C17H25N3O3/c1-6-7-19-10-15(21)20(13(4)17(19)22)9-14-12(3)16(23-5)11(2)8-18-14/h8,13H,6-7,9-10H2,1-5H3/t13-/m1/s1
InChIKeyYTDOUSSPQLUNHS-CYBMUJFWSA-N
MW319.41 g/mol
LogP1.68
Rot. Bonds5

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

(3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione (PubChem CID 165425764) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
PubChem CID165425764
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2ncc(C)c(OC)c2C)[C@H](C)C1=O
InChIInChI=1S/C17H25N3O3/c1-6-7-19-10-15(21)20(13(4)17(19)22)9-14-12(3)16(23-5)11(2)8-18-14/h8,13H,6-7,9-10H2,1-5H3/t13-/m1/s1
InChIKeyYTDOUSSPQLUNHS-CYBMUJFWSA-N
XLogP1.68
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-4-[(4-methoxy-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 166620028
(3R)-3-methyl-4-[(4-methylnaphthalen-1-yl)methyl]-1-propylpiperazine-2,5-dione
CID 165417469
(3R)-3-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-propylpiperazine-2,5-dione
CID 165421687
3-methyl-4-[(3-methyl-1H-indol-2-yl)methyl]-1-propylpiperazine-2,5-dione
CID 130265212
(1S,6R)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 72892165
(7R)-2-amino-5-(2,2-difluoroethyl)-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one
CID 25159015
(1S,6R)-3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one;dihydrochloride
CID 154925030
(7R)-2-amino-5-benzyl-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-7-methyl-7H-pteridin-6-one
CID 25159290
(3R)-3-methyl-4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-propylpiperazine-2,5-dione
CID 165422011
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrimidin-4-one
CID 115679486
2-amino-4-chloro-8-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5-propan-2-yl-7H-pteridin-6-one;propane
CID 143894167
(3S)-1-(2-methoxyethyl)-3-methyl-4-[(2-methyl-3-pyridinyl)methyl]piperazine-2,5-dione
CID 165425744

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The IUPAC name of (3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione (CID 165425764) is (3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione.
What is the SMILES notation for (3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The canonical SMILES for (3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2ncc(C)c(OC)c2C)[C@H](C)C1=O.
What is the InChIKey of (3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
The InChIKey is YTDOUSSPQLUNHS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-6-7-19-10-15(21)20(13(4)17(19)22)9-14-12(3)16(23-5)11(2)8-18-14/h8,13H,6-7,9-10H2,1-5H3/t13-/m1/s1.
What are the key properties of (3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione?
(3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione has a molecular weight of 319.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione is sourced from PubChem (CID 165425764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).