4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide

C17H28N4O3 — CID 110346149

IUPAC4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C17H28N4O3/c1-3-18(4-2)17(24)20-9-7-19(8-10-20)16(23)13-11-15(22)21(12-13)14-5-6-14/h13-14H,3-12H2,1-2H3
InChIKeyPNXIFQLINBLVOB-UHFFFAOYSA-N
MW336.44 g/mol
LogP0.60
Rot. Bonds4

About 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide

4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide (PubChem CID 110346149) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide
PubChem CID110346149
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C17H28N4O3/c1-3-18(4-2)17(24)20-9-7-19(8-10-20)16(23)13-11-15(22)21(12-13)14-5-6-14/h13-14H,3-12H2,1-2H3
InChIKeyPNXIFQLINBLVOB-UHFFFAOYSA-N
XLogP0.60
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-cyclopropyl-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 95280942
1-cyclopropyl-4-(4-propylsulfonylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110346153
(4S)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364634
(4S)-4-(azocane-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one
CID 99805761
(4R)-1-cyclopentyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9364632
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
4-cyclopropyl-N,N-diethyl-3-oxopiperazine-1-carboxamide
CID 110873293
1-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
ethyl 4-[1-(oxan-4-yl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-carboxylate
CID 90567791
1-cyclopentyl-4-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 86890881
4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158
1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346139

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide (CID 110346149) is 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1.
What is the InChIKey of 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is PNXIFQLINBLVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-18(4-2)17(24)20-9-7-19(8-10-20)16(23)13-11-15(22)21(12-13)14-5-6-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide?
4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 110346149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).