[4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate

C27H27N3O4 — CID 57390874

IUPAC[4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate
SMILESCN(Cc1ccccc1)C(=O)[C@H]1CNCC(=O)N1c1ccc(COC(=O)c2ccccc2)cc1
InChIInChI=1S/C27H27N3O4/c1-29(18-20-8-4-2-5-9-20)26(32)24-16-28-17-25(31)30(24)23-14-12-21(13-15-23)19-34-27(33)22-10-6-3-7-11-22/h2-15,24,28H,16-19H2,1H3/t24-/m1/s1
InChIKeyNLPOLQCVOYXLDX-XMMPIXPASA-N
MW457.53 g/mol
LogP3.01
Rot. Bonds7

About [4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate

[4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate (PubChem CID 57390874) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is [4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate.

Molecular Properties

Compound Name[4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate
PubChem CID57390874
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name[4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate
SMILESCN(Cc1ccccc1)C(=O)[C@H]1CNCC(=O)N1c1ccc(COC(=O)c2ccccc2)cc1
InChIInChI=1S/C27H27N3O4/c1-29(18-20-8-4-2-5-9-20)26(32)24-16-28-17-25(31)30(24)23-14-12-21(13-15-23)19-34-27(33)22-10-6-3-7-11-22/h2-15,24,28H,16-19H2,1H3/t24-/m1/s1
InChIKeyNLPOLQCVOYXLDX-XMMPIXPASA-N
XLogP3.01
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate with MolForge

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Related Compounds

Ethyl 4-((2-(1-piperidinyl)acetyl)amino)benzoate
CID 3300
Propyl 4-(1-hexyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)benzoate
CID 54683103
Ethyl 4-(4-(dimethylamino)benzylamino)benzoate
CID 3243284
Paridocaine
CID 23551
ethyl (2E,4S)-4-[(2S)-2-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enamido]-3-phenylpropanamido]-5-phenylpent-2-enoate
CID 11555658
4-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pentanoylamino)-4-methyl-pentanoylamino]-benzoic acid methyl ester
CID 44288042
ethyl 4-[3-(morpholin-4-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl]benzoate
CID 714003
Butyl 4-{[{[2-(dimethylamino)ethyl]amino}(oxo)acetyl]amino}benzoate
CID 1915327
Methyl 4-[[2-[cyclohexyl(ethyl)amino]acetyl]amino]benzoate
CID 2338850
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 2371360
[2-[Methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-[(2-cyanoacetyl)amino]benzoate
CID 2431002
Methyl 3-{[(2-{1-[(3,5-dimethylanilino)carbonyl]-3-oxo-2-piperazinyl}acetyl)amino]methyl}benzoate
CID 2814472

Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate?
The IUPAC name of [4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate (CID 57390874) is [4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate.
What is the SMILES notation for [4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate?
The canonical SMILES for [4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate is CN(Cc1ccccc1)C(=O)[C@H]1CNCC(=O)N1c1ccc(COC(=O)c2ccccc2)cc1.
What is the InChIKey of [4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate?
The InChIKey is NLPOLQCVOYXLDX-XMMPIXPASA-N. The full InChI is InChI=1S/C27H27N3O4/c1-29(18-20-8-4-2-5-9-20)26(32)24-16-28-17-25(31)30(24)23-14-12-21(13-15-23)19-34-27(33)22-10-6-3-7-11-22/h2-15,24,28H,16-19H2,1H3/t24-/m1/s1.
What are the key properties of [4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate?
[4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate has a molecular weight of 457.53 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-2-[benzyl(methyl)carbamoyl]-6-oxopiperazin-1-yl]phenyl]methyl benzoate is sourced from PubChem (CID 57390874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).