1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone

C20H21N3O2S — CID 54435102

IUPAC1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESCOc1ccnc(NC2CCN(C(=O)c3cc4ccccc4s3)CC2)c1
InChIInChI=1S/C20H21N3O2S/c1-25-16-6-9-21-19(13-16)22-15-7-10-23(11-8-15)20(24)18-12-14-4-2-3-5-17(14)26-18/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,21,22)
InChIKeyWKEFJDOEFWASAV-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.02
Rot. Bonds4

About 1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone

1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone (PubChem CID 54435102) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone
PubChem CID54435102
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone
SMILESCOc1ccnc(NC2CCN(C(=O)c3cc4ccccc4s3)CC2)c1
InChIInChI=1S/C20H21N3O2S/c1-25-16-6-9-21-19(13-16)22-15-7-10-23(11-8-15)20(24)18-12-14-4-2-3-5-17(14)26-18/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,21,22)
InChIKeyWKEFJDOEFWASAV-UHFFFAOYSA-N
XLogP4.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone with MolForge

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Related Compounds

4-[(4-methoxy-2-pyridinyl)amino]piperidine-1-carboxylic acid
CID 139925030
1-benzothiophen-2-yl-(4-pyridin-4-yloxypiperidin-1-yl)methanone
CID 91815946
1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261508
4-methoxy-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 115922912
1-benzothiophen-2-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251070
1-benzothiophen-2-yl-(4-hydroxypiperidin-1-yl)methanone
CID 43393418
1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122160949
1-benzothiophen-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 91626691
4-methoxy-N-(1-pyridin-2-ylpiperidin-4-yl)pyridin-2-amine
CID 75498023
1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850645
1-(1-benzothiophene-2-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 78804876
1-benzothiophen-2-yl-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 90651890

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone (CID 54435102) is 1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone is COc1ccnc(NC2CCN(C(=O)c3cc4ccccc4s3)CC2)c1.
What is the InChIKey of 1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone?
The InChIKey is WKEFJDOEFWASAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-25-16-6-9-21-19(13-16)22-15-7-10-23(11-8-15)20(24)18-12-14-4-2-3-5-17(14)26-18/h2-6,9,12-13,15H,7-8,10-11H2,1H3,(H,21,22).
What are the key properties of 1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone?
1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone has a molecular weight of 367.47 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[4-[(4-methoxy-2-pyridinyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 54435102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).