3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide

C12H18N4O2 — CID 167527770

IUPAC3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
SMILESCc1c(C(N)=O)[nH]c(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C12H18N4O2/c1-7-8(2)10(15-9(7)11(13)17)12(18)16-5-3-14-4-6-16/h14-15H,3-6H2,1-2H3,(H2,13,17)
InChIKeyCUGGRMRTXNWBOS-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.22
Rot. Bonds2

About 3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide

3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide (PubChem CID 167527770) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
PubChem CID167527770
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
SMILESCc1c(C(N)=O)[nH]c(C(=O)N2CCNCC2)c1C
InChIInChI=1S/C12H18N4O2/c1-7-8(2)10(15-9(7)11(13)17)12(18)16-5-3-14-4-6-16/h14-15H,3-6H2,1-2H3,(H2,13,17)
InChIKeyCUGGRMRTXNWBOS-UHFFFAOYSA-N
XLogP-0.22
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide
CID 175890901
piperazin-1-yl-(2,3,5,6-tetramethylphenyl)methanone
CID 82130774
(5-bromo-4-methyl-1H-pyrazol-3-yl)-piperazin-1-ylmethanone
CID 83904063
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
5-chloro-6-(piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 82512056
ethyl 4-(2-oxo-2-piperazin-1-ylacetyl)piperazine-1-carboxylate
CID 28507309
piperazine-1-carboxamide;zinc
CID 175213463
ethene;1-piperazin-1-ylethanone
CID 145071339
(1-ethyl-5-methyltriazol-4-yl)-piperazin-1-ylmethanone
CID 82509564
(5-methyl-1,2-dihydropyridazin-3-yl)-piperazin-1-ylmethanone
CID 171811136
(5-methyl-1,3-oxazol-4-yl)-piperazin-1-ylmethanone;hydrochloride
CID 130978963
1,4-diazepan-1-yl-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119414366

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide (CID 167527770) is 3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide is Cc1c(C(N)=O)[nH]c(C(=O)N2CCNCC2)c1C.
What is the InChIKey of 3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide?
The InChIKey is CUGGRMRTXNWBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-7-8(2)10(15-9(7)11(13)17)12(18)16-5-3-14-4-6-16/h14-15H,3-6H2,1-2H3,(H2,13,17).
What are the key properties of 3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide?
3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(piperazine-1-carbonyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 167527770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).