(4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone

C20H21N3O2 — CID 112533795

IUPAC(4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone
SMILESCOc1ccc(C(=O)n2cc(C3CCNCC3)c3ncccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-25-16-6-4-15(5-7-16)20(24)23-13-17(14-8-11-21-12-9-14)19-18(23)3-2-10-22-19/h2-7,10,13-14,21H,8-9,11-12H2,1H3
InChIKeyQUYUUTWOXAPXFI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.20
Rot. Bonds3

About (4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone

(4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone (PubChem CID 112533795) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is (4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone
PubChem CID112533795
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name(4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone
SMILESCOc1ccc(C(=O)n2cc(C3CCNCC3)c3ncccc32)cc1
InChIInChI=1S/C20H21N3O2/c1-25-16-6-4-15(5-7-16)20(24)23-13-17(14-8-11-21-12-9-14)19-18(23)3-2-10-22-19/h2-7,10,13-14,21H,8-9,11-12H2,1H3
InChIKeyQUYUUTWOXAPXFI-UHFFFAOYSA-N
XLogP3.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoro-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
CID 112533837
3-phenoxy-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)propan-1-one
CID 112533904
1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)-2-pyridin-3-ylethanone
CID 112533773
2-(furan-2-yl)-1-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)ethanone
CID 112533770
(4-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749250
(4-methoxyphenyl)-(7-methyl-1,4-diazepan-1-yl)methanone
CID 82244652
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079735
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
4-[2-(4-methoxyphenyl)phenyl]piperidine
CID 86226215
1-(benzenesulfonyl)-3-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-b]pyridine
CID 44624098
4-[2-(4-methoxyphenyl)sulfanylphenyl]piperidine;oxalic acid
CID 68681781
3-piperidin-4-ylpyridine-2-carboxamide;hydrochloride
CID 178067188

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone (CID 112533795) is (4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone is COc1ccc(C(=O)n2cc(C3CCNCC3)c3ncccc32)cc1.
What is the InChIKey of (4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone?
The InChIKey is QUYUUTWOXAPXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-25-16-6-4-15(5-7-16)20(24)23-13-17(14-8-11-21-12-9-14)19-18(23)3-2-10-22-19/h2-7,10,13-14,21H,8-9,11-12H2,1H3.
What are the key properties of (4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone?
(4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(3-piperidin-4-ylpyrrolo[3,2-b]pyridin-1-yl)methanone is sourced from PubChem (CID 112533795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).