N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide

C20H23N3O2S — CID 47548533

IUPACN-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(CC(=O)N2CCc3ccccc32)CC1)c1cccs1
InChIInChI=1S/C20H23N3O2S/c24-19(23-12-7-15-4-1-2-5-17(15)23)14-22-10-8-16(9-11-22)21-20(25)18-6-3-13-26-18/h1-6,13,16H,7-12,14H2,(H,21,25)
InChIKeyPNXKKVAIWWUSJB-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.53
Rot. Bonds4

About N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide

N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 47548533) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
PubChem CID47548533
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC NameN-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
SMILESO=C(NC1CCN(CC(=O)N2CCc3ccccc32)CC1)c1cccs1
InChIInChI=1S/C20H23N3O2S/c24-19(23-12-7-15-4-1-2-5-17(15)23)14-22-10-8-16(9-11-22)21-20(25)18-6-3-13-26-18/h1-6,13,16H,7-12,14H2,(H,21,25)
InChIKeyPNXKKVAIWWUSJB-UHFFFAOYSA-N
XLogP2.53
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 55869916
N-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49449075
N-[1-[2-(cyclopropylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156012
2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165432875
1-(2,3-dihydroindol-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119927826
N-[1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548206
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 37218502
N-[5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]thiophene-2-carboxamide
CID 5051757
N-[6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyridazin-3-yl]thiophene-2-carboxamide
CID 42139496
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]thiophene-2-carboxamide
CID 51087555
N-[1-[2-(propylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037540
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide (CID 47548533) is N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide is O=C(NC1CCN(CC(=O)N2CCc3ccccc32)CC1)c1cccs1.
What is the InChIKey of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is PNXKKVAIWWUSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-19(23-12-7-15-4-1-2-5-17(15)23)14-22-10-8-16(9-11-22)21-20(25)18-6-3-13-26-18/h1-6,13,16H,7-12,14H2,(H,21,25).
What are the key properties of N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide?
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 47548533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).