(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide

C20H23N3O3 — CID 124952150

IUPAC(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide
SMILESCOc1ccccc1C(=O)N1CCN(Cc2ccccc2)C[C@H]1C(N)=O
InChIInChI=1S/C20H23N3O3/c1-26-18-10-6-5-9-16(18)20(25)23-12-11-22(14-17(23)19(21)24)13-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H2,21,24)/t17-/m0/s1
InChIKeyDMGKRMPMGZOYEH-KRWDZBQOSA-N
MW353.42 g/mol
LogP1.51
Rot. Bonds5

About (2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide

(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide (PubChem CID 124952150) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide
PubChem CID124952150
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide
SMILESCOc1ccccc1C(=O)N1CCN(Cc2ccccc2)C[C@H]1C(N)=O
InChIInChI=1S/C20H23N3O3/c1-26-18-10-6-5-9-16(18)20(25)23-12-11-22(14-17(23)19(21)24)13-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H2,21,24)/t17-/m0/s1
InChIKeyDMGKRMPMGZOYEH-KRWDZBQOSA-N
XLogP1.51
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide 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

(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide
CID 110151465
(2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 95811271
1,4-dibenzylpiperazine-2-carboxamide
CID 11392722
(2R)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124977353
(2S)-1-[4-methoxy-3-(pyrazol-1-ylmethyl)benzoyl]-4-(2-phenylethyl)piperazine-2-carboxamide
CID 124977354
methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate
CID 44783626
(2-methoxyphenyl)-(2-propan-2-ylaziridin-1-yl)methanone
CID 139985368
(2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide
CID 124948483
(2S)-4-benzyl-1-[2-(4-methoxyanilino)pyridine-3-carbonyl]-N-methylpiperazine-2-carboxamide
CID 129455052
4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide
CID 110151192

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide (CID 124952150) is (2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide is COc1ccccc1C(=O)N1CCN(Cc2ccccc2)C[C@H]1C(N)=O.
What is the InChIKey of (2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide?
The InChIKey is DMGKRMPMGZOYEH-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-26-18-10-6-5-9-16(18)20(25)23-12-11-22(14-17(23)19(21)24)13-15-7-3-2-4-8-15/h2-10,17H,11-14H2,1H3,(H2,21,24)/t17-/m0/s1.
What are the key properties of (2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide?
(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide is sourced from PubChem (CID 124952150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).