[4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone

C24H27F2N3O3 — CID 158422250

IUPAC[4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCOc1cc(CN2CCN(C(=O)c3cc4ccccc4n3C)CC2)ccc1OCC(F)F
InChIInChI=1S/C24H27F2N3O3/c1-27-19-6-4-3-5-18(19)14-20(27)24(30)29-11-9-28(10-12-29)15-17-7-8-21(22(13-17)31-2)32-16-23(25)26/h3-8,13-14,23H,9-12,15-16H2,1-2H3
InChIKeyHAPZBYSSKJHGAT-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.79
Rot. Bonds7

About [4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone

[4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone (PubChem CID 158422250) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is [4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone.

Molecular Properties

Compound Name[4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
PubChem CID158422250
Molecular FormulaC24H27F2N3O3
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC Name[4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
SMILESCOc1cc(CN2CCN(C(=O)c3cc4ccccc4n3C)CC2)ccc1OCC(F)F
InChIInChI=1S/C24H27F2N3O3/c1-27-19-6-4-3-5-18(19)14-20(27)24(30)29-11-9-28(10-12-29)15-17-7-8-21(22(13-17)31-2)32-16-23(25)26/h3-8,13-14,23H,9-12,15-16H2,1-2H3
InChIKeyHAPZBYSSKJHGAT-UHFFFAOYSA-N
XLogP3.79
TPSA46.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone with MolForge

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Related Compounds

[4-[[4-(cyclopropylmethoxy)phenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 141331069
4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-1-methylquinolin-2-one
CID 55789518
[4-[2-(3-methoxyphenoxy)ethyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone
CID 71725004
(2,6-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366613
(4-bromo-3,5-dimethoxyphenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 31332615
(2,6-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399351
(2,6-dimethoxyphenyl)-[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methanone
CID 1126126
furan-2-yl-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 23793021
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-[1-(2-phenylethyl)pyrrol-2-yl]methanone
CID 86876286
[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-[1-methyl-6-(4-methylphenoxy)indol-2-yl]methanone
CID 155181163
(2,5-dimethoxyphenyl)-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 18115973
(2-anilinophenyl)-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 39457794

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The IUPAC name of [4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone (CID 158422250) is [4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone.
What is the SMILES notation for [4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The canonical SMILES for [4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone is COc1cc(CN2CCN(C(=O)c3cc4ccccc4n3C)CC2)ccc1OCC(F)F.
What is the InChIKey of [4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
The InChIKey is HAPZBYSSKJHGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-27-19-6-4-3-5-18(19)14-20(27)24(30)29-11-9-28(10-12-29)15-17-7-8-21(22(13-17)31-2)32-16-23(25)26/h3-8,13-14,23H,9-12,15-16H2,1-2H3.
What are the key properties of [4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone?
[4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone has a molecular weight of 443.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2,2-difluoroethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]-(1-methylindol-2-yl)methanone is sourced from PubChem (CID 158422250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).