[(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone

C15H19N3O — CID 166268751

IUPAC[(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
SMILESC[C@@H]1CCN(C(=O)c2ccnc3[nH]ccc23)[C@H](C)C1
InChIInChI=1S/C15H19N3O/c1-10-5-8-18(11(2)9-10)15(19)13-4-7-17-14-12(13)3-6-16-14/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyZEKBNRPXCOGHLW-GHMZBOCLSA-N
MW257.34 g/mol
LogP2.82
Rot. Bonds1

About [(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone

[(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone (PubChem CID 166268751) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is [(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone.

Molecular Properties

Compound Name[(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
PubChem CID166268751
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name[(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
SMILESC[C@@H]1CCN(C(=O)c2ccnc3[nH]ccc23)[C@H](C)C1
InChIInChI=1S/C15H19N3O/c1-10-5-8-18(11(2)9-10)15(19)13-4-7-17-14-12(13)3-6-16-14/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,17)/t10-,11-/m1/s1
InChIKeyZEKBNRPXCOGHLW-GHMZBOCLSA-N
XLogP2.82
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone with MolForge

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Related Compounds

(4-amino-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 81240937
(3,3-dimethyl-2-pyridin-3-ylazetidin-1-yl)-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone
CID 166268676
(4-amino-2-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330069
(2,4-dimethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-4-pyridinyl]methanone
CID 66484614
(2,4-dimethylpiperidin-1-yl)-(1H-indol-5-yl)methanone
CID 55236063
(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62332348
1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 23515094
4-(2,4-dimethylpiperidine-1-carbonyl)benzenesulfonyl chloride
CID 62331984
(2,4-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
CID 103522096
(4-amino-2-methylphenyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62332096
(2,4-dimethylpiperidin-1-yl)-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 86796972
N-(3-hydroxy-3-methylcyclobutyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 166268739

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone?
The IUPAC name of [(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone (CID 166268751) is [(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone.
What is the SMILES notation for [(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone?
The canonical SMILES for [(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone is C[C@@H]1CCN(C(=O)c2ccnc3[nH]ccc23)[C@H](C)C1.
What is the InChIKey of [(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone?
The InChIKey is ZEKBNRPXCOGHLW-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-5-8-18(11(2)9-10)15(19)13-4-7-17-14-12(13)3-6-16-14/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,16,17)/t10-,11-/m1/s1.
What are the key properties of [(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone?
[(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2,4-dimethylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-4-yl)methanone is sourced from PubChem (CID 166268751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).