(2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide

C17H23N3O4 — CID 124971294

IUPAC(2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1ccccc1C(=O)N1CCN(C(C)=O)[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H23N3O4/c1-12(21)20-10-9-19(11-14(20)17(23)18(2)3)16(22)13-7-5-6-8-15(13)24-4/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyJVMWJZOVCLCPEJ-AWEZNQCLSA-N
MW333.39 g/mol
LogP0.46
Rot. Bonds3

About (2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide

(2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 124971294) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID124971294
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCOc1ccccc1C(=O)N1CCN(C(C)=O)[C@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H23N3O4/c1-12(21)20-10-9-19(11-14(20)17(23)18(2)3)16(22)13-7-5-6-8-15(13)24-4/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1
InChIKeyJVMWJZOVCLCPEJ-AWEZNQCLSA-N
XLogP0.46
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(2R)-1-acetyl-N,N-dimethyl-4-(4-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
CID 124981335
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
(2-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 50999804
(2-methoxyphenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418480
(2S)-1-acetyl-N,N-dimethyl-4-(6-methylpyridine-3-carbonyl)piperazine-2-carboxamide
CID 124967207
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide (CID 124971294) is (2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide is COc1ccccc1C(=O)N1CCN(C(C)=O)[C@H](C(=O)N(C)C)C1.
What is the InChIKey of (2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is JVMWJZOVCLCPEJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-12(21)20-10-9-19(11-14(20)17(23)18(2)3)16(22)13-7-5-6-8-15(13)24-4/h5-8,14H,9-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide?
(2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 124971294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).