2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one

C21H24N4O3 — CID 53134494

IUPAC2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c(=O)n(C)ccc3n2C)CC1
InChIInChI=1S/C21H24N4O3/c1-22-9-8-16-15(20(22)26)14-18(23(16)2)21(27)25-12-10-24(11-13-25)17-6-4-5-7-19(17)28-3/h4-9,14H,10-13H2,1-3H3
InChIKeyZMQLBFYHGDLKNI-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.85
Rot. Bonds3

About 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one

2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one (PubChem CID 53134494) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one
PubChem CID53134494
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cc3c(=O)n(C)ccc3n2C)CC1
InChIInChI=1S/C21H24N4O3/c1-22-9-8-16-15(20(22)26)14-18(23(16)2)21(27)25-12-10-24(11-13-25)17-6-4-5-7-19(17)28-3/h4-9,14H,10-13H2,1-3H3
InChIKeyZMQLBFYHGDLKNI-UHFFFAOYSA-N
XLogP1.85
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-bromo-4-methylfuro[3,2-b]pyrrol-5-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 91958754
5-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 84556273
6-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,3-dimethyl-7-propylpyrrolo[2,3-d]pyrimidine-2,4-dione
CID 42175983
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-methylindol-3-yl)methanone
CID 9034036
[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53006313
(5-methoxy-1-methylindol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 71701857
(2-bromophenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1049087
(3,5-dichloro-4-methoxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9034132
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
5-methoxy-2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]pyran-4-one
CID 27378207

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one (CID 53134494) is 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one is COc1ccccc1N1CCN(C(=O)c2cc3c(=O)n(C)ccc3n2C)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZMQLBFYHGDLKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-22-9-8-16-15(20(22)26)14-18(23(16)2)21(27)25-12-10-24(11-13-25)17-6-4-5-7-19(17)28-3/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one?
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one has a molecular weight of 380.45 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1,5-dimethylpyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 53134494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).