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

C20H22ClF2N3O — CID 120847802

IUPAC(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)c(F)c1)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C20H21F2N3O.ClH/c21-17-5-4-15(12-18(17)22)20(26)25-10-8-24(9-11-25)13-16-3-1-2-14-6-7-23-19(14)16;/h1-5,12,23H,6-11,13H2;1H
InChIKeyZMHSMBMGQRVUIC-UHFFFAOYSA-N
MW393.87 g/mol
LogP3.31
Rot. Bonds3

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

(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120847802) has the molecular formula C20H22ClF2N3O and a molecular weight of 393.87 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120847802
Molecular FormulaC20H22ClF2N3O
Molecular Weight393.87 g/mol
Exact Mass393.14
IUPAC Name(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(F)c(F)c1)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C20H21F2N3O.ClH/c21-17-5-4-15(12-18(17)22)20(26)25-10-8-24(9-11-25)13-16-3-1-2-14-6-7-23-19(14)16;/h1-5,12,23H,6-11,13H2;1H
InChIKeyZMHSMBMGQRVUIC-UHFFFAOYSA-N
XLogP3.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone
CID 120848228
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23736422
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120857770
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120848138
(3,4-difluorophenyl)-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081265
(3,4-difluorophenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930484
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanoic acid;hydrochloride
CID 154739595
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-6-yl)methanone;dihydrochloride
CID 154893496

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride (CID 120847802) is (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1ccc(F)c(F)c1)N1CCN(Cc2cccc3c2NCC3)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is ZMHSMBMGQRVUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3O.ClH/c21-17-5-4-15(12-18(17)22)20(26)25-10-8-24(9-11-25)13-16-3-1-2-14-6-7-23-19(14)16;/h1-5,12,23H,6-11,13H2;1H.
What are the key properties of (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride?
(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120847802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).