4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one

C14H19N3O2 — CID 63607405

IUPAC4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cccn1C1CC1
InChIInChI=1S/C14H19N3O2/c1-14(2)13(19)15-7-9-17(14)12(18)11-4-3-8-16(11)10-5-6-10/h3-4,8,10H,5-7,9H2,1-2H3,(H,15,19)
InChIKeyFZDHMKPHNCTKFJ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.17
Rot. Bonds2

About 4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one

4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 63607405) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID63607405
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)c1cccn1C1CC1
InChIInChI=1S/C14H19N3O2/c1-14(2)13(19)15-7-9-17(14)12(18)11-4-3-8-16(11)10-5-6-10/h3-4,8,10H,5-7,9H2,1-2H3,(H,15,19)
InChIKeyFZDHMKPHNCTKFJ-UHFFFAOYSA-N
XLogP1.17
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-cyclobutylpyrrol-2-yl)-(2,2-dimethylpiperazin-1-yl)methanone
CID 114610398
4-(2-chlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362538
3,3-dimethyl-4-(1H-pyrrole-2-carbonyl)piperazin-2-one
CID 63606368
1-(1-cyclopentylpyrrole-2-carbonyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 166275939
4-(3,4-difluorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362058
3,3-dimethyl-4-(pyridine-3-carbonyl)piperazin-2-one
CID 63362105
4-(3-cyclopropylquinoline-2-carbonyl)-3,3-dimethylpiperazin-2-one
CID 136570573
4-(2,3-dichlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63361938
4-(4-methoxybenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863757
4-[4-(dimethylamino)benzoyl]-3,3-dimethylpiperazin-2-one
CID 63606700
(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406232
3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
CID 104615006

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one (CID 63607405) is 4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)c1cccn1C1CC1.
What is the InChIKey of 4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is FZDHMKPHNCTKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(2)13(19)15-7-9-17(14)12(18)11-4-3-8-16(11)10-5-6-10/h3-4,8,10H,5-7,9H2,1-2H3,(H,15,19).
What are the key properties of 4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one?
4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 261.32 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropylpyrrole-2-carbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 63607405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).