[4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone

C20H21N3O2 — CID 127778121

IUPAC[4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc4cc[nH]c4n3)CC2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-2-5-16(6-3-14)25-17-9-12-23(13-10-17)20(24)18-7-4-15-8-11-21-19(15)22-18/h2-8,11,17H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyARABDQWELBHCDH-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.55
Rot. Bonds3

About [4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone

[4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone (PubChem CID 127778121) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
PubChem CID127778121
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccc4cc[nH]c4n3)CC2)cc1
InChIInChI=1S/C20H21N3O2/c1-14-2-5-16(6-3-14)25-17-9-12-23(13-10-17)20(24)18-7-4-15-8-11-21-19(15)22-18/h2-8,11,17H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyARABDQWELBHCDH-UHFFFAOYSA-N
XLogP3.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone with MolForge

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Related Compounds

N-methyl-2-[1-(1H-pyrrolo[2,3-b]pyridine-6-carbonyl)piperidin-4-yl]acetamide
CID 127776962
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
1H-pyrrolo[2,3-b]pyridin-6-yl(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 157016726
(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127777972
(5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 123261911
2,2-dimethyl-1-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-one
CID 90245405
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778414
[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778417
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 146676198
phenyl 4-(4-methylphenoxy)piperidine-1-carboxylate
CID 110397090

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The IUPAC name of [4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone (CID 127778121) is [4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The canonical SMILES for [4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone is Cc1ccc(OC2CCN(C(=O)c3ccc4cc[nH]c4n3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
The InChIKey is ARABDQWELBHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-2-5-16(6-3-14)25-17-9-12-23(13-10-17)20(24)18-7-4-15-8-11-21-19(15)22-18/h2-8,11,17H,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of [4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone?
[4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone is sourced from PubChem (CID 127778121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).