3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one

C22H25N3O3 — CID 155372601

IUPAC3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc(C2CCCCN2C(=O)c2c[nH]c3c(C)cn(C)c(=O)c23)cc1
InChIInChI=1S/C22H25N3O3/c1-14-13-24(2)22(27)19-17(12-23-20(14)19)21(26)25-11-5-4-6-18(25)15-7-9-16(28-3)10-8-15/h7-10,12-13,18,23H,4-6,11H2,1-3H3
InChIKeyWTPJKVNQCUKHPC-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.55
Rot. Bonds3

About 3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one

3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 155372601) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID155372601
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCOc1ccc(C2CCCCN2C(=O)c2c[nH]c3c(C)cn(C)c(=O)c23)cc1
InChIInChI=1S/C22H25N3O3/c1-14-13-24(2)22(27)19-17(12-23-20(14)19)21(26)25-11-5-4-6-18(25)15-7-9-16(28-3)10-8-15/h7-10,12-13,18,23H,4-6,11H2,1-3H3
InChIKeyWTPJKVNQCUKHPC-UHFFFAOYSA-N
XLogP3.55
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

2-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69349219
(2,4-dimethoxyphenyl)-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 55440342
3-chloro-5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 75404382
[(2S)-2-(4-methoxyphenyl)azepan-1-yl]-(5-nitro-1H-indol-3-yl)methanone
CID 99792234
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 32985933
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
5-[2-(4-methoxyphenyl)azepane-1-carbonyl]-2-methylbenzenesulfonamide
CID 78825743
furan-3-yl-[2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 51267049
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(thiadiazol-4-yl)methanone
CID 94645487
(1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 124582318

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one (CID 155372601) is 3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one is COc1ccc(C2CCCCN2C(=O)c2c[nH]c3c(C)cn(C)c(=O)c23)cc1.
What is the InChIKey of 3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is WTPJKVNQCUKHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-13-24(2)22(27)19-17(12-23-20(14)19)21(26)25-11-5-4-6-18(25)15-7-9-16(28-3)10-8-15/h7-10,12-13,18,23H,4-6,11H2,1-3H3.
What are the key properties of 3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one?
3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 379.46 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methoxyphenyl)piperidine-1-carbonyl]-5,7-dimethyl-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 155372601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).