2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide

C22H31N3O3 — CID 165432875

IUPAC2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CC1CCN(CC(=O)N2CCc3ccccc32)CC1)NC1CCOCC1
InChIInChI=1S/C22H31N3O3/c26-21(23-19-8-13-28-14-9-19)15-17-5-10-24(11-6-17)16-22(27)25-12-7-18-3-1-2-4-20(18)25/h1-4,17,19H,5-16H2,(H,23,26)
InChIKeyNVPGDGZMUCCWDM-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.97
Rot. Bonds5

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

2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide (PubChem CID 165432875) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
PubChem CID165432875
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
SMILESO=C(CC1CCN(CC(=O)N2CCc3ccccc32)CC1)NC1CCOCC1
InChIInChI=1S/C22H31N3O3/c26-21(23-19-8-13-28-14-9-19)15-17-5-10-24(11-6-17)16-22(27)25-12-7-18-3-1-2-4-20(18)25/h1-4,17,19H,5-16H2,(H,23,26)
InChIKeyNVPGDGZMUCCWDM-UHFFFAOYSA-N
XLogP1.97
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119927826
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]thiophene-2-carboxamide
CID 47548533
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120798614
2-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431902
2-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119933655
2-[(3R)-3-aminopyrrolidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119905160
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119928044
2-[bis[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]amino]-N-cyclopropylacetamide
CID 78862673
N-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzenesulfonamide
CID 37218502
N-(oxan-4-yl)-2-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 165431842
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide (CID 165432875) is 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide is O=C(CC1CCN(CC(=O)N2CCc3ccccc32)CC1)NC1CCOCC1.
What is the InChIKey of 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide?
The InChIKey is NVPGDGZMUCCWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-21(23-19-8-13-28-14-9-19)15-17-5-10-24(11-6-17)16-22(27)25-12-7-18-3-1-2-4-20(18)25/h1-4,17,19H,5-16H2,(H,23,26).
What are the key properties of 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide?
2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide has a molecular weight of 385.51 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 165432875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).