5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one

C19H24N4O2 — CID 126830384

IUPAC5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCC1(C(=O)N2CCCC(c3c[nH]c4ncccc34)C2)CCC(=O)NC1
InChIInChI=1S/C19H24N4O2/c1-19(7-6-16(24)22-12-19)18(25)23-9-3-4-13(11-23)15-10-21-17-14(15)5-2-8-20-17/h2,5,8,10,13H,3-4,6-7,9,11-12H2,1H3,(H,20,21)(H,22,24)
InChIKeyCUJDZFYHTSMBMG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.19
Rot. Bonds2

About 5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one

5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one (PubChem CID 126830384) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one
PubChem CID126830384
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one
SMILESCC1(C(=O)N2CCCC(c3c[nH]c4ncccc34)C2)CCC(=O)NC1
InChIInChI=1S/C19H24N4O2/c1-19(7-6-16(24)22-12-19)18(25)23-9-3-4-13(11-23)15-10-21-17-14(15)5-2-8-20-17/h2,5,8,10,13H,3-4,6-7,9,11-12H2,1H3,(H,20,21)(H,22,24)
InChIKeyCUJDZFYHTSMBMG-UHFFFAOYSA-N
XLogP2.19
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

(1-methylpyrazol-3-yl)-[(3R)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 164634122
tert-butyl (3S)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxylate
CID 124566469
3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolidine-1-carbonyl fluoride
CID 89186227
(5-methoxypyrazin-2-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749473
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-amine
CID 121426655
(4-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749250
N-[4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]phenyl]acetamide
CID 162749484
[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]sulfonylazetidin-1-yl]-(3,3,5,5-tetramethylmorpholin-4-yl)methanone
CID 146373110
2-amino-3-(3-fluorophenyl)-1-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one;2,2,2-trifluoroacetic acid
CID 166299411
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251
N-methyl-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxamide
CID 155946909
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one (CID 126830384) is 5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one is CC1(C(=O)N2CCCC(c3c[nH]c4ncccc34)C2)CCC(=O)NC1.
What is the InChIKey of 5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is CUJDZFYHTSMBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(7-6-16(24)22-12-19)18(25)23-9-3-4-13(11-23)15-10-21-17-14(15)5-2-8-20-17/h2,5,8,10,13H,3-4,6-7,9,11-12H2,1H3,(H,20,21)(H,22,24).
What are the key properties of 5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one?
5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 340.43 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[3-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 126830384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).