1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one

C18H22N4O3 — CID 110346139

IUPAC1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(c1ccncc1)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C18H22N4O3/c23-16-11-14(12-22(16)15-1-2-15)18(25)21-9-7-20(8-10-21)17(24)13-3-5-19-6-4-13/h3-6,14-15H,1-2,7-12H2
InChIKeyCUDAHCMALZJYPZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.38
Rot. Bonds3

About 1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one

1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 110346139) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID110346139
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C(c1ccncc1)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1
InChIInChI=1S/C18H22N4O3/c23-16-11-14(12-22(16)15-1-2-15)18(25)21-9-7-20(8-10-21)17(24)13-3-5-19-6-4-13/h3-6,14-15H,1-2,7-12H2
InChIKeyCUDAHCMALZJYPZ-UHFFFAOYSA-N
XLogP0.38
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-(4-benzoylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 51565669
1-cyclopentyl-4-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 46413405
(4S)-4-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 94178191
4-[4-(2-chloro-6-fluorobenzoyl)piperazine-1-carbonyl]-1-cyclopropylpyrrolidin-2-one
CID 110346141
(4S)-1-(3-methoxyphenyl)-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 29136650
1-cyclopropyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 60656167
(4S)-1-cyclopropyl-4-[4-(pyridazin-3-ylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95601738
(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-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 4251317
4-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-N,N-diethylpiperazine-1-carboxamide
CID 110346149

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 110346139) is 1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C(c1ccncc1)N1CCN(C(=O)C2CC(=O)N(C3CC3)C2)CC1.
What is the InChIKey of 1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is CUDAHCMALZJYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-16-11-14(12-22(16)15-1-2-15)18(25)21-9-7-20(8-10-21)17(24)13-3-5-19-6-4-13/h3-6,14-15H,1-2,7-12H2.
What are the key properties of 1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one?
1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 342.40 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 110346139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).