4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C21H22FN3O2 — CID 121337689

IUPAC4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2cc[nH]c2c1=O
InChIInChI=1S/C21H22FN3O2/c1-24-13-18(17-6-9-23-19(17)21(24)27)20(26)25-10-7-15(8-11-25)12-14-2-4-16(22)5-3-14/h2-6,9,13,15,23H,7-8,10-12H2,1H3
InChIKeyFJLIEQSTUVYWBY-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.10
Rot. Bonds3

About 4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 121337689) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID121337689
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2cc[nH]c2c1=O
InChIInChI=1S/C21H22FN3O2/c1-24-13-18(17-6-9-23-19(17)21(24)27)20(26)25-10-7-15(8-11-25)12-14-2-4-16(22)5-3-14/h2-6,9,13,15,23H,7-8,10-12H2,1H3
InChIKeyFJLIEQSTUVYWBY-UHFFFAOYSA-N
XLogP3.10
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Related Compounds

6-methyl-4-[4-(methylamino)piperidine-1-carbonyl]-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121338202
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N'-methyl-2-oxoacetohydrazide
CID 138530050
2-[6-chloro-5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-methylindol-3-yl]-N-ethyl-N-methyl-2-oxoacetamide
CID 20763791
[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methanone
CID 59105220
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338547
6-methyl-N-(oxan-4-ylmethyl)-7-oxo-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 121338309
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide
CID 167457452
N-ethyl-2-[5-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methoxy-1-methylindol-3-yl]-N-methyl-2-oxoacetamide
CID 11562294

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 121337689) is 4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)c2cc[nH]c2c1=O.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is FJLIEQSTUVYWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-24-13-18(17-6-9-23-19(17)21(24)27)20(26)25-10-7-15(8-11-25)12-14-2-4-16(22)5-3-14/h2-6,9,13,15,23H,7-8,10-12H2,1H3.
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 367.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 121337689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).