ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate

C19H24N4O5 — CID 110209725

IUPACethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC2NC(=O)c3ccccc3NC2=O)CC1
InChIInChI=1S/C19H24N4O5/c1-2-28-19(27)23-9-7-12(8-10-23)20-16(24)11-15-18(26)21-14-6-4-3-5-13(14)17(25)22-15/h3-6,12,15H,2,7-11H2,1H3,(H,20,24)(H,21,26)(H,22,25)
InChIKeyLZGQJMWSFNJUQF-UHFFFAOYSA-N
MW388.42 g/mol
LogP0.86
Rot. Bonds4

About ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 110209725) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID110209725
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Nameethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CC2NC(=O)c3ccccc3NC2=O)CC1
InChIInChI=1S/C19H24N4O5/c1-2-28-19(27)23-9-7-12(8-10-23)20-16(24)11-15-18(26)21-14-6-4-3-5-13(14)17(25)22-15/h3-6,12,15H,2,7-11H2,1H3,(H,20,24)(H,21,26)(H,22,25)
InChIKeyLZGQJMWSFNJUQF-UHFFFAOYSA-N
XLogP0.86
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 71668687
2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-(2-ethylphenyl)acetamide
CID 118985657
(3R)-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 99871505
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(2-methoxyphenyl)acetamide
CID 51836525
N-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide
CID 126417886
2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-(1-phenylethyl)acetamide
CID 75465794
3-[2-oxo-2-(3-phenylpyrrolidin-1-yl)ethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 71831272
(3S)-3-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 51048654
ethyl 4-[[2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]acetyl]amino]piperidine-1-carboxylate
CID 26319974
ethyl 4-(3-phenoxypropanoylamino)piperidine-1-carboxylate
CID 31542229
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]acetamide
CID 110207461

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate (CID 110209725) is ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CC2NC(=O)c3ccccc3NC2=O)CC1.
What is the InChIKey of ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is LZGQJMWSFNJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-2-28-19(27)23-9-7-12(8-10-23)20-16(24)11-15-18(26)21-14-6-4-3-5-13(14)17(25)22-15/h3-6,12,15H,2,7-11H2,1H3,(H,20,24)(H,21,26)(H,22,25).
What are the key properties of ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110209725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).