[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone

C26H24ClN3O — CID 139758725

IUPAC[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone
SMILESO=C(c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C26H24ClN3O/c27-21-9-11-22(12-10-21)30-15-13-29(14-16-30)18-19-5-7-20(8-6-19)26(31)24-17-28-25-4-2-1-3-23(24)25/h1-12,17,28H,13-16,18H2
InChIKeyCTKFFIDMMGYNEY-UHFFFAOYSA-N
MW429.95 g/mol
LogP5.37
Rot. Bonds5

About [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone

[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone (PubChem CID 139758725) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone
PubChem CID139758725
Molecular FormulaC26H24ClN3O
Molecular Weight429.95 g/mol
Exact Mass429.16
IUPAC Name[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone
SMILESO=C(c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1)c1c[nH]c2ccccc12
InChIInChI=1S/C26H24ClN3O/c27-21-9-11-22(12-10-21)30-15-13-29(14-16-30)18-19-5-7-20(8-6-19)26(31)24-17-28-25-4-2-1-3-23(24)25/h1-12,17,28H,13-16,18H2
InChIKeyCTKFFIDMMGYNEY-UHFFFAOYSA-N
XLogP5.37
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-hydroxypiperidin-1-yl)phenyl]-2-[4-[4-[2-(1H-indol-3-yl)-2-oxoethyl]benzoyl]phenyl]ethanone
CID 148550986
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 913234
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
1H-indol-3-yl-(4-iodophenyl)methanone
CID 43339241
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
N-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzamide
CID 1364206
(4-chlorophenyl)-[4-(morpholin-4-ylmethyl)phenyl]methanone
CID 24724233
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7087091
[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
N-benzyl-3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]benzamide
CID 42858908
(2-chlorophenyl)-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 24724302
(2-chlorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724584

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone?
The IUPAC name of [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone (CID 139758725) is [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone is O=C(c1ccc(CN2CCN(c3ccc(Cl)cc3)CC2)cc1)c1c[nH]c2ccccc12.
What is the InChIKey of [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone?
The InChIKey is CTKFFIDMMGYNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O/c27-21-9-11-22(12-10-21)30-15-13-29(14-16-30)18-19-5-7-20(8-6-19)26(31)24-17-28-25-4-2-1-3-23(24)25/h1-12,17,28H,13-16,18H2.
What are the key properties of [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone?
[4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone has a molecular weight of 429.95 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenyl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 139758725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).