2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide

C24H29ClN4O3 — CID 70639791

IUPAC2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C2CN(CC(=O)N(C)C)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C24H29ClN4O3/c1-26(2)23(30)16-29-15-19(18-9-8-17(25)14-21(18)29)24(31)28-12-10-27(11-13-28)20-6-4-5-7-22(20)32-3/h4-9,14,19H,10-13,15-16H2,1-3H3
InChIKeyMJAYRCWGEOXFRS-UHFFFAOYSA-N
MW456.97 g/mol
LogP2.69
Rot. Bonds5

About 2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide

2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide (PubChem CID 70639791) has the molecular formula C24H29ClN4O3 and a molecular weight of 456.97 g/mol. Its IUPAC name is 2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide
PubChem CID70639791
Molecular FormulaC24H29ClN4O3
Molecular Weight456.97 g/mol
Exact Mass456.19
IUPAC Name2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide
SMILESCOc1ccccc1N1CCN(C(=O)C2CN(CC(=O)N(C)C)c3cc(Cl)ccc32)CC1
InChIInChI=1S/C24H29ClN4O3/c1-26(2)23(30)16-29-15-19(18-9-8-17(25)14-21(18)29)24(31)28-12-10-27(11-13-28)20-6-4-5-7-22(20)32-3/h4-9,14,19H,10-13,15-16H2,1-3H3
InChIKeyMJAYRCWGEOXFRS-UHFFFAOYSA-N
XLogP2.69
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.97
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-chloro-3-[4-(2-methoxyphenyl)piperidine-1-carbonyl]-2,3-dihydroindol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 70639828
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24680226
N-[(4-chlorophenyl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methylacetamide
CID 8687143
[1-[(3-chlorophenyl)methyl]-4-[(2,4-difluorophenyl)methyl-methylamino]pyrrolidin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 68724360
(3R)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroinden-1-one
CID 51894203
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 56922329
4-(5-chloro-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 113108091
[(1R)-2,2-dichlorocyclopropyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 41024311
[1-(3-chlorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42826347
cyclopentyl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4084330
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
CID 134069379

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide (CID 70639791) is 2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide is COc1ccccc1N1CCN(C(=O)C2CN(CC(=O)N(C)C)c3cc(Cl)ccc32)CC1.
What is the InChIKey of 2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide?
The InChIKey is MJAYRCWGEOXFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O3/c1-26(2)23(30)16-29-15-19(18-9-8-17(25)14-21(18)29)24(31)28-12-10-27(11-13-28)20-6-4-5-7-22(20)32-3/h4-9,14,19H,10-13,15-16H2,1-3H3.
What are the key properties of 2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide?
2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide has a molecular weight of 456.97 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 70639791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).