4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one

C20H34N4O3 — CID 45171785

IUPAC4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one
SMILESCC(C)CN1CCNC(=O)C1CC(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H34N4O3/c1-15(2)14-24-12-7-21-19(26)17(24)13-18(25)22-10-5-16(6-11-22)20(27)23-8-3-4-9-23/h15-17H,3-14H2,1-2H3,(H,21,26)
InChIKeyOQZYCOYHYISYES-UHFFFAOYSA-N
MW378.52 g/mol
LogP0.69
Rot. Bonds5

About 4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one

4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one (PubChem CID 45171785) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one
PubChem CID45171785
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one
SMILESCC(C)CN1CCNC(=O)C1CC(=O)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C20H34N4O3/c1-15(2)14-24-12-7-21-19(26)17(24)13-18(25)22-10-5-16(6-11-22)20(27)23-8-3-4-9-23/h15-17H,3-14H2,1-2H3,(H,21,26)
InChIKeyOQZYCOYHYISYES-UHFFFAOYSA-N
XLogP0.69
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one with MolForge

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Related Compounds

1'-(1-Methyl-2,5-dioxopyrrolidin-3-yl)-1,4'-bipiperidine-4'-carboxamide
CID 586837
1-(1-Methyl-2,5-dioxopyrrolidin-3-yl)piperidine-4-carboxamide
CID 2859665
1-cyclohexyl-N-(3-(4-methylpiperazin-1-yl)propyl)-5-oxopyrrolidine-3-carboxamide
CID 3244366
1-(2,5-Dioxopyrrolidin-3-yl)-4-piperidin-1-ylpiperidine-4-carboxamide
CID 2936270
3-[4-(1-Piperidinylcarbonyl)-1-piperidinyl]-2,5-pyrrolidinedione
CID 2979075
3-[2-(4-Cyclohexyl-3-oxopiperazin-1-yl)-2-oxoethyl]-4-(2-methylpropyl)piperazin-2-one
CID 24791447
4-(Cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 45187451
(6S)-6-[(2S)-butan-2-yl]-1-[[1-(2-ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281037
1-[2-(1-Piperidin-3-ylpiperidin-4-yl)ethyl]pyrrolidin-2-one
CID 56717967
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
(2S)-N-[(2S)-4-methyl-1-[3-(2-methylpropyl)-5-oxopiperazin-1-yl]pentan-2-yl]-4-oxopyrrolidine-2-carboxamide
CID 90663545
1'-(1-Ethyl-2,5-dioxopyrrolidin-3-yl)-1,4'-bipiperidine-4'-carboxamide
CID 3845022

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one?
The IUPAC name of 4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one (CID 45171785) is 4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one?
The canonical SMILES for 4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one is CC(C)CN1CCNC(=O)C1CC(=O)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of 4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one?
The InChIKey is OQZYCOYHYISYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-15(2)14-24-12-7-21-19(26)17(24)13-18(25)22-10-5-16(6-11-22)20(27)23-8-3-4-9-23/h15-17H,3-14H2,1-2H3,(H,21,26).
What are the key properties of 4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one?
4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one has a molecular weight of 378.52 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-3-[2-oxo-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethyl]piperazin-2-one is sourced from PubChem (CID 45171785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).