(1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone

C20H21N3O2 — CID 136516324

IUPAC(1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
SMILESO=C(C1CCCCN1C(=O)c1ccccc1)N1CCc2ncccc21
InChIInChI=1S/C20H21N3O2/c24-19(15-7-2-1-3-8-15)22-13-5-4-9-18(22)20(25)23-14-11-16-17(23)10-6-12-21-16/h1-3,6-8,10,12,18H,4-5,9,11,13-14H2
InChIKeyJIDNKDOPFHWOFN-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.67
Rot. Bonds2

About (1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone

(1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone (PubChem CID 136516324) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
PubChem CID136516324
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone
SMILESO=C(C1CCCCN1C(=O)c1ccccc1)N1CCc2ncccc21
InChIInChI=1S/C20H21N3O2/c24-19(15-7-2-1-3-8-15)22-13-5-4-9-18(22)20(25)23-14-11-16-17(23)10-6-12-21-16/h1-3,6-8,10,12,18H,4-5,9,11,13-14H2
InChIKeyJIDNKDOPFHWOFN-UHFFFAOYSA-N
XLogP2.67
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
CID 56826411
(1-benzoylpyrrolidin-2-yl)-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112822377
1-benzoyl-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 136575876
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238
phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
CID 102541555
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
tert-butyl 2-(4-pyridin-2-yl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 175217445
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 97079067
[(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 124758497
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 97078426

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?
The IUPAC name of (1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone (CID 136516324) is (1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone.
What is the SMILES notation for (1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?
The canonical SMILES for (1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone is O=C(C1CCCCN1C(=O)c1ccccc1)N1CCc2ncccc21.
What is the InChIKey of (1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?
The InChIKey is JIDNKDOPFHWOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-19(15-7-2-1-3-8-15)22-13-5-4-9-18(22)20(25)23-14-11-16-17(23)10-6-12-21-16/h1-3,6-8,10,12,18H,4-5,9,11,13-14H2.
What are the key properties of (1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone?
(1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-2-yl)-(2,3-dihydropyrrolo[3,2-b]pyridin-1-yl)methanone is sourced from PubChem (CID 136516324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).