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

C22H27N3O3 — CID 136522965

IUPAC2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CCN(CC(=O)N2c3ccccc3CC2C)CC1
InChIInChI=1S/C22H27N3O3/c1-15-13-17-5-3-4-6-20(17)25(15)21(26)14-24-10-7-18(8-11-24)23-22(27)19-9-12-28-16(19)2/h3-6,9,12,15,18H,7-8,10-11,13-14H2,1-2H3,(H,23,27)
InChIKeyVKBIWBNLCBFXHE-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.76
Rot. Bonds4

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

2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide (PubChem CID 136522965) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide
PubChem CID136522965
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide
SMILESCc1occc1C(=O)NC1CCN(CC(=O)N2c3ccccc3CC2C)CC1
InChIInChI=1S/C22H27N3O3/c1-15-13-17-5-3-4-6-20(17)25(15)21(26)14-24-10-7-18(8-11-24)23-22(27)19-9-12-28-16(19)2/h3-6,9,12,15,18H,7-8,10-11,13-14H2,1-2H3,(H,23,27)
InChIKeyVKBIWBNLCBFXHE-UHFFFAOYSA-N
XLogP2.76
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide 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-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(2-methylfuran-3-yl)methanone
CID 35523959
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
2-(3-aminopyrrolidin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 62068343
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8690886
2-[4-[(3-fluoro-4-methylphenyl)methyl]piperidin-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 101346834
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 41325271
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[(R)-(2-methylfuran-3-yl)sulfinyl]ethanone
CID 129400215
N-(2-chlorophenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9434251
2-methyl-N-[1-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]piperidin-4-yl]furan-3-carboxamide
CID 95182232
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide (CID 136522965) is 2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide is Cc1occc1C(=O)NC1CCN(CC(=O)N2c3ccccc3CC2C)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide?
The InChIKey is VKBIWBNLCBFXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-15-13-17-5-3-4-6-20(17)25(15)21(26)14-24-10-7-18(8-11-24)23-22(27)19-9-12-28-16(19)2/h3-6,9,12,15,18H,7-8,10-11,13-14H2,1-2H3,(H,23,27).
What are the key properties of 2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide?
2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 136522965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).