(2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone

C20H21F2N3O — CID 120848228

IUPAC(2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C20H21F2N3O/c21-16-4-5-17(18(22)12-16)20(26)25-10-8-24(9-11-25)13-15-3-1-2-14-6-7-23-19(14)15/h1-5,12,23H,6-11,13H2
InChIKeyDWZZSHDIADYWTN-UHFFFAOYSA-N
MW357.40 g/mol
LogP2.89
Rot. Bonds3

About (2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone

(2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone (PubChem CID 120848228) has the molecular formula C20H21F2N3O and a molecular weight of 357.40 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone
PubChem CID120848228
Molecular FormulaC20H21F2N3O
Molecular Weight357.40 g/mol
Exact Mass357.17
IUPAC Name(2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1F)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C20H21F2N3O/c21-16-4-5-17(18(22)12-16)20(26)25-10-8-24(9-11-25)13-15-3-1-2-14-6-7-23-19(14)15/h1-5,12,23H,6-11,13H2
InChIKeyDWZZSHDIADYWTN-UHFFFAOYSA-N
XLogP2.89
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120847802
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120857770
1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-2-(2-fluorophenyl)ethanone
CID 110804269
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120848138
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(2-fluorophenyl)methanone
CID 17249551
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
(2,4-difluorophenyl)-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]methanone
CID 95604299

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone (CID 120848228) is (2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1F)N1CCN(Cc2cccc3c2NCC3)CC1.
What is the InChIKey of (2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is DWZZSHDIADYWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O/c21-16-4-5-17(18(22)12-16)20(26)25-10-8-24(9-11-25)13-15-3-1-2-14-6-7-23-19(14)15/h1-5,12,23H,6-11,13H2.
What are the key properties of (2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone?
(2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 357.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120848228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).