5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide

C13H20N4O2 — CID 120569414

IUPAC5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide
SMILESCC1NCCN(C(=O)c2cc(C(N)=O)cn2C)C1C
InChIInChI=1S/C13H20N4O2/c1-8-9(2)17(5-4-15-8)13(19)11-6-10(12(14)18)7-16(11)3/h6-9,15H,4-5H2,1-3H3,(H2,14,18)
InChIKeyDBVDGOBEIQBHPO-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.05
Rot. Bonds2

About 5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide

5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide (PubChem CID 120569414) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide
PubChem CID120569414
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide
SMILESCC1NCCN(C(=O)c2cc(C(N)=O)cn2C)C1C
InChIInChI=1S/C13H20N4O2/c1-8-9(2)17(5-4-15-8)13(19)11-6-10(12(14)18)7-16(11)3/h6-9,15H,4-5H2,1-3H3,(H2,14,18)
InChIKeyDBVDGOBEIQBHPO-UHFFFAOYSA-N
XLogP-0.05
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120569818
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120572511
5-[(2S)-2-[(1S)-1-aminoethyl]piperidine-1-carbonyl]-1-methylpyrrole-3-carboxamide
CID 124569599
(3,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571214
4-(2,3-dimethylpiperazine-1-carbonyl)thiophene-2-sulfonamide
CID 120571641
2,3-dimethylpiperazine-1-carboxylic acid
CID 126753910
(2,5-dimethylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572277
(4-tert-butylphenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120571764
[3-(dimethylamino)phenyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 82302377
(2,3-dimethylpiperazin-1-yl)-(3-iodo-4-methylphenyl)methanone
CID 120570666
(2,4-difluorophenyl)-(2,3-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 120570274
(2,3-dimethylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone;hydrochloride
CID 120570248

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide?
The IUPAC name of 5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide (CID 120569414) is 5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for 5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide?
The canonical SMILES for 5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide is CC1NCCN(C(=O)c2cc(C(N)=O)cn2C)C1C.
What is the InChIKey of 5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide?
The InChIKey is DBVDGOBEIQBHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-9(2)17(5-4-15-8)13(19)11-6-10(12(14)18)7-16(11)3/h6-9,15H,4-5H2,1-3H3,(H2,14,18).
What are the key properties of 5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide?
5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide has a molecular weight of 264.33 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylpiperazine-1-carbonyl)-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 120569414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).