[4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate

C19H29N3O6 — CID 137381959

IUPAC[4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate
SMILESCC(C=O)NC(=O)C1CCCCN1C(=O)C1CCCN1C(=O)CC(C)OC=O
InChIInChI=1S/C19H29N3O6/c1-13(11-23)20-18(26)15-6-3-4-8-22(15)19(27)16-7-5-9-21(16)17(25)10-14(2)28-12-24/h11-16H,3-10H2,1-2H3,(H,20,26)
InChIKeyJYTHVUZRPFZYBP-UHFFFAOYSA-N
MW395.46 g/mol
LogP0.01
Rot. Bonds8

About [4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate

[4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate (PubChem CID 137381959) has the molecular formula C19H29N3O6 and a molecular weight of 395.46 g/mol. Its IUPAC name is [4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate.

Molecular Properties

Compound Name[4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate
PubChem CID137381959
Molecular FormulaC19H29N3O6
Molecular Weight395.46 g/mol
Exact Mass395.21
IUPAC Name[4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate
SMILESCC(C=O)NC(=O)C1CCCCN1C(=O)C1CCCN1C(=O)CC(C)OC=O
InChIInChI=1S/C19H29N3O6/c1-13(11-23)20-18(26)15-6-3-4-8-22(15)19(27)16-7-5-9-21(16)17(25)10-14(2)28-12-24/h11-16H,3-10H2,1-2H3,(H,20,26)
InChIKeyJYTHVUZRPFZYBP-UHFFFAOYSA-N
XLogP0.01
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpyrrolidine-2-carbonyl)-N-(1-oxopropan-2-yl)piperidine-2-carboxamide
CID 167146705
[4-oxo-4-[2-[2-(propan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylazepane-2-carboxylate
CID 137382095
[4-oxo-4-[2-[3-(propan-2-ylcarbamoyl)morpholine-4-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-formylpyrrolidine-2-carboxylate
CID 145150044
ethane;2-[(3-ethylphenyl)carbamoylamino]acetamide;[4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] 1-methylpyrrolidine-2-carboxylate;toluene
CID 144801382
2-[[1-[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 18490537
3-[(1-butanoylpiperidine-2-carbonyl)amino]butanoic acid
CID 119221180
(2S)-2-[[(2S)-1-[(2S)-1-(2-methylpropoxycarbonyl)pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid
CID 134490483
2-[[1-[1-(2-aminoacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid
CID 18490528
1-(cyclopropanecarbonyl)-N-(1-hydroxypropan-2-yl)pyrrolidine-2-carboxamide
CID 43427876
(2R)-1-[3-(cyclohexanecarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371105
N-ethyl-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide
CID 170386383
(2S)-1-acetyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
CID 89096348

Frequently Asked Questions

What is the IUPAC name of [4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate?
The IUPAC name of [4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate (CID 137381959) is [4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate.
What is the SMILES notation for [4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate?
The canonical SMILES for [4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate is CC(C=O)NC(=O)C1CCCCN1C(=O)C1CCCN1C(=O)CC(C)OC=O.
What is the InChIKey of [4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate?
The InChIKey is JYTHVUZRPFZYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O6/c1-13(11-23)20-18(26)15-6-3-4-8-22(15)19(27)16-7-5-9-21(16)17(25)10-14(2)28-12-24/h11-16H,3-10H2,1-2H3,(H,20,26).
What are the key properties of [4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate?
[4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate has a molecular weight of 395.46 g/mol, XLogP of 0.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-4-[2-[2-(1-oxopropan-2-ylcarbamoyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-2-yl] formate is sourced from PubChem (CID 137381959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).