1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide

C22H20N4OS — CID 11625250

IUPAC1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccnc2ccncc12)C1CCN(c2csc3ccccc23)CC1
InChIInChI=1S/C22H20N4OS/c27-22(25-19-6-10-24-18-5-9-23-13-17(18)19)15-7-11-26(12-8-15)20-14-28-21-4-2-1-3-16(20)21/h1-6,9-10,13-15H,7-8,11-12H2,(H,24,25,27)
InChIKeyHFXYFICZWKMXQM-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.70
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide

1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide (PubChem CID 11625250) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide
PubChem CID11625250
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccnc2ccncc12)C1CCN(c2csc3ccccc23)CC1
InChIInChI=1S/C22H20N4OS/c27-22(25-19-6-10-24-18-5-9-23-13-17(18)19)15-7-11-26(12-8-15)20-14-28-21-4-2-1-3-16(20)21/h1-6,9-10,13-15H,7-8,11-12H2,(H,24,25,27)
InChIKeyHFXYFICZWKMXQM-UHFFFAOYSA-N
XLogP4.70
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-benzothiophen-3-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 11581235
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
tert-butyl (3R)-3-(quinolin-4-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 164884595
N-(2,7-naphthyridin-4-yl)-1-quinolin-3-ylpiperidine-4-carboxamide
CID 58653171
N-[5-(4-quinolin-4-ylpiperazin-1-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 163357165
1-amino-N-(1,6-naphthyridin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119888960
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
(3R)-3-acetyl-N-(1,6-naphthyridin-4-yl)-2-phenyl-3,4-dihydropyrazole-5-carboxamide
CID 95973922
N-(1,6-naphthyridin-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;dihydrochloride
CID 119888990
N-quinolin-5-ylcyclohexanecarboxamide
CID 8873343
1-(1-benzothiophen-3-ylcarbamoyl)piperidine-4-carboxylic acid
CID 122089108
(1-quinolin-4-ylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 165435539

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide (CID 11625250) is 1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide is O=C(Nc1ccnc2ccncc12)C1CCN(c2csc3ccccc23)CC1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide?
The InChIKey is HFXYFICZWKMXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c27-22(25-19-6-10-24-18-5-9-23-13-17(18)19)15-7-11-26(12-8-15)20-14-28-21-4-2-1-3-16(20)21/h1-6,9-10,13-15H,7-8,11-12H2,(H,24,25,27).
What are the key properties of 1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide?
1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-(1,6-naphthyridin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 11625250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).