[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone

C22H24ClN5O — CID 10549490

IUPAC[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnn(CCCN2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C22H24ClN5O/c23-19-9-4-5-10-21(19)27-15-13-26(14-16-27)11-6-12-28-24-17-20(25-28)22(29)18-7-2-1-3-8-18/h1-5,7-10,17H,6,11-16H2
InChIKeyFQTXGHQVPKBXRT-UHFFFAOYSA-N
MW409.92 g/mol
LogP3.37
Rot. Bonds7

About [2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone

[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone (PubChem CID 10549490) has the molecular formula C22H24ClN5O and a molecular weight of 409.92 g/mol. Its IUPAC name is [2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone
PubChem CID10549490
Molecular FormulaC22H24ClN5O
Molecular Weight409.92 g/mol
Exact Mass409.17
IUPAC Name[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cnn(CCCN2CCN(c3ccccc3Cl)CC2)n1
InChIInChI=1S/C22H24ClN5O/c23-19-9-4-5-10-21(19)27-15-13-26(14-16-27)11-6-12-28-24-17-20(25-28)22(29)18-7-2-1-3-8-18/h1-5,7-10,17H,6,11-16H2
InChIKeyFQTXGHQVPKBXRT-UHFFFAOYSA-N
XLogP3.37
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]triazol-4-yl]-phenylmethanone
CID 10572807
4-[4-(2-chlorophenyl)piperazin-1-yl]butanehydrazide
CID 63571743
1-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-2,3-dihydroindole;oxalic acid
CID 162324636
2-amino-N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]acetamide
CID 119902706
5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbaldehyde
CID 25071386
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637
4-[4-(2-chlorophenyl)piperazin-1-yl]butanenitrile
CID 43086163
3-chloro-5-[4-[4-(2-chlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072327
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-2-phenylindene-1,3-dione
CID 3039724
1-(3-azidopropyl)-4-(2-chlorophenyl)piperazine
CID 61396678
2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one
CID 11080449
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 58358816

Frequently Asked Questions

What is the IUPAC name of [2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone?
The IUPAC name of [2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone (CID 10549490) is [2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone.
What is the SMILES notation for [2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone?
The canonical SMILES for [2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone is O=C(c1ccccc1)c1cnn(CCCN2CCN(c3ccccc3Cl)CC2)n1.
What is the InChIKey of [2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone?
The InChIKey is FQTXGHQVPKBXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O/c23-19-9-4-5-10-21(19)27-15-13-26(14-16-27)11-6-12-28-24-17-20(25-28)22(29)18-7-2-1-3-8-18/h1-5,7-10,17H,6,11-16H2.
What are the key properties of [2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone?
[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone has a molecular weight of 409.92 g/mol, XLogP of 3.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]triazol-4-yl]-phenylmethanone is sourced from PubChem (CID 10549490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).