1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

C18H19N3OS — CID 92571713

IUPAC1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(c2cc3ncccc3[nH]2)CC1
InChIInChI=1S/C18H19N3OS/c22-18(11-14-3-2-10-23-14)21-8-5-13(6-9-21)16-12-17-15(20-16)4-1-7-19-17/h1-4,7,10,12-13,20H,5-6,8-9,11H2
InChIKeyVWECFEANCORNMS-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.57
Rot. Bonds3

About 1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 92571713) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID92571713
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCC(c2cc3ncccc3[nH]2)CC1
InChIInChI=1S/C18H19N3OS/c22-18(11-14-3-2-10-23-14)21-8-5-13(6-9-21)16-12-17-15(20-16)4-1-7-19-17/h1-4,7,10,12-13,20H,5-6,8-9,11H2
InChIKeyVWECFEANCORNMS-UHFFFAOYSA-N
XLogP3.57
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 92593194
1-(3-pyridin-2-ylpyrrolidin-1-yl)-2-thiophen-2-ylethanone
CID 71801548
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 72931119
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 60719075
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51725949
(2R)-2-(4-ethoxyphenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92593870
2-(2-methoxyphenyl)-1-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]ethanone
CID 110236396
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
CID 124975903
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110396938
2-thiophen-2-yl-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 1453694

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 92571713) is 1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCC(c2cc3ncccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is VWECFEANCORNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c22-18(11-14-3-2-10-23-14)21-8-5-13(6-9-21)16-12-17-15(20-16)4-1-7-19-17/h1-4,7,10,12-13,20H,5-6,8-9,11H2.
What are the key properties of 1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 325.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 92571713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).