methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate

C21H23N3O5 — CID 44783626

IUPACmethyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Nc2ccccc2)CCN1C(=O)c1ccccc1OC
InChIInChI=1S/C21H23N3O5/c1-28-18-11-7-6-10-16(18)19(25)24-13-12-23(14-17(24)20(26)29-2)21(27)22-15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,22,27)
InChIKeyKZRWJZLVJPMPEY-UHFFFAOYSA-N
MW397.43 g/mol
LogP2.23
Rot. Bonds4

About methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate

methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate (PubChem CID 44783626) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate
PubChem CID44783626
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Namemethyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)Nc2ccccc2)CCN1C(=O)c1ccccc1OC
InChIInChI=1S/C21H23N3O5/c1-28-18-11-7-6-10-16(18)19(25)24-13-12-23(14-17(24)20(26)29-2)21(27)22-15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,22,27)
InChIKeyKZRWJZLVJPMPEY-UHFFFAOYSA-N
XLogP2.23
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-methoxybenzoyl)-1,4-diazepane-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 47071368
methyl (2S)-1-methylsulfonyl-4-(phenylcarbamoyl)piperazine-2-carboxylate
CID 7161590
(2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide
CID 124948483
(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide
CID 124952150
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
4-(2-methoxy-5-methylbenzoyl)-N-phenyl-1,4-diazepane-1-carboxamide
CID 110813373
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 29353501
(2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 124971294
methyl 4-benzoyl-1-(cyclopentanecarbonyl)piperazine-2-carboxylate
CID 44783658
methyl (2R)-2-[[(2S)-1-acetyl-4-(phenylcarbamoyl)piperazine-2-carbonyl]amino]propanoate
CID 163039377
2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoacetamide
CID 68776678
(2-methoxyphenyl)-(2-propan-2-ylaziridin-1-yl)methanone
CID 139985368

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate?
The IUPAC name of methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate (CID 44783626) is methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate is COC(=O)C1CN(C(=O)Nc2ccccc2)CCN1C(=O)c1ccccc1OC.
What is the InChIKey of methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate?
The InChIKey is KZRWJZLVJPMPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-28-18-11-7-6-10-16(18)19(25)24-13-12-23(14-17(24)20(26)29-2)21(27)22-15-8-4-3-5-9-15/h3-11,17H,12-14H2,1-2H3,(H,22,27).
What are the key properties of methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate?
methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxybenzoyl)-4-(phenylcarbamoyl)piperazine-2-carboxylate is sourced from PubChem (CID 44783626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).