(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide

C17H25N3O2 — CID 93322045

IUPAC(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(C)c(C)c2)C(=O)[C@@H]1C
InChIInChI=1S/C17H25N3O2/c1-5-8-18-17(22)19-9-10-20(16(21)14(19)4)15-7-6-12(2)13(3)11-15/h6-7,11,14H,5,8-10H2,1-4H3,(H,18,22)/t14-/m0/s1
InChIKeyJFWAQZSTKIBPGF-AWEZNQCLSA-N
MW303.41 g/mol
LogP2.46
Rot. Bonds3

About (2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide

(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide (PubChem CID 93322045) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
PubChem CID93322045
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(c2ccc(C)c(C)c2)C(=O)[C@@H]1C
InChIInChI=1S/C17H25N3O2/c1-5-8-18-17(22)19-9-10-20(16(21)14(19)4)15-7-6-12(2)13(3)11-15/h6-7,11,14H,5,8-10H2,1-4H3,(H,18,22)/t14-/m0/s1
InChIKeyJFWAQZSTKIBPGF-AWEZNQCLSA-N
XLogP2.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-oxo-4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 24716488
4-(5-chloro-2-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 24715930
1-(3,4-dimethylphenyl)-4-(2-methoxyacetyl)-3-methylpiperazin-2-one
CID 24716639
(3S)-4-(3,3-dimethylbutanoyl)-1-(3,4-dimethylphenyl)-3-methylpiperazin-2-one
CID 93322014
4-(2-fluoro-5-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847448
(2R)-N-(3-chlorophenyl)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazine-1-carboxamide
CID 93322041
4-(2-chlorophenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847459
(3R)-1-(3,4-dimethylphenyl)-4-(4-fluorobenzoyl)-3-methylpiperazin-2-one
CID 93292457
(3R)-1-(3-chloro-4-methylphenyl)-3-methyl-4-propanoylpiperazin-2-one
CID 93321640
ethyl 2-[(2R)-4-(3,4-dimethylphenyl)-2-methyl-3-oxopiperazin-1-yl]acetate
CID 93319686
1-(3,4-dimethylphenyl)-4-(3-fluorobenzoyl)-3-methylpiperazin-2-one
CID 24718836
1-(3-fluoro-4-methylphenyl)-3-methyl-4-(2-methylpropanoyl)piperazin-2-one
CID 24715980

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
The IUPAC name of (2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide (CID 93322045) is (2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for (2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
The canonical SMILES for (2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(c2ccc(C)c(C)c2)C(=O)[C@@H]1C.
What is the InChIKey of (2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
The InChIKey is JFWAQZSTKIBPGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-8-18-17(22)19-9-10-20(16(21)14(19)4)15-7-6-12(2)13(3)11-15/h6-7,11,14H,5,8-10H2,1-4H3,(H,18,22)/t14-/m0/s1.
What are the key properties of (2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide?
(2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(3,4-dimethylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 93322045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).