(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride

C25H32ClN7O — CID 142648065

IUPAC(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride
SMILESCl.O=C(c1cn(CCN2CCN(c3ccccc3)CC2)nn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H31N7O.ClH/c33-25(31-18-16-30(17-19-31)23-9-5-2-6-10-23)24-21-32(27-26-24)20-13-28-11-14-29(15-12-28)22-7-3-1-4-8-22;/h1-10,21H,11-20H2;1H
InChIKeyPUEYWAYCUDCLBH-UHFFFAOYSA-N
MW482.03 g/mol
LogP2.48
Rot. Bonds6

About (4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride

(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride (PubChem CID 142648065) has the molecular formula C25H32ClN7O and a molecular weight of 482.03 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride
PubChem CID142648065
Molecular FormulaC25H32ClN7O
Molecular Weight482.03 g/mol
Exact Mass481.24
IUPAC Name(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride
SMILESCl.O=C(c1cn(CCN2CCN(c3ccccc3)CC2)nn1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H31N7O.ClH/c33-25(31-18-16-30(17-19-31)23-9-5-2-6-10-23)24-21-32(27-26-24)20-13-28-11-14-29(15-12-28)22-7-3-1-4-8-22;/h1-10,21H,11-20H2;1H
InChIKeyPUEYWAYCUDCLBH-UHFFFAOYSA-N
XLogP2.48
TPSA60.74 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.03
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1-phenyltriazol-4-yl)-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 56913867
1-(4-fluorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709660
1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 142648062
1-(3-chlorophenyl)-4-[2-(4-phenyltriazol-1-yl)ethyl]piperazine;hydrochloride
CID 142709680
[1-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]triazol-4-yl]-phenylmethanone
CID 10572807
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone
CID 42291922
1-(2-morpholin-4-ylethyl)triazole-4-carboxylic acid
CID 29082618
1-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]triazole-4-carboxylic acid
CID 43592179
[1-[(2-fluorophenyl)methyl]triazol-4-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 42591846
[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[1-(2-piperidin-1-ylethyl)triazol-4-yl]methanone
CID 26410975
methyl 1-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]triazole-4-carboxylate;hydrochloride
CID 142709644
[1-(2-aminoethyl)triazol-4-yl]-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methanone
CID 70760236

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride?
The IUPAC name of (4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride (CID 142648065) is (4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride is Cl.O=C(c1cn(CCN2CCN(c3ccccc3)CC2)nn1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride?
The InChIKey is PUEYWAYCUDCLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O.ClH/c33-25(31-18-16-30(17-19-31)23-9-5-2-6-10-23)24-21-32(27-26-24)20-13-28-11-14-29(15-12-28)22-7-3-1-4-8-22;/h1-10,21H,11-20H2;1H.
What are the key properties of (4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride?
(4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride has a molecular weight of 482.03 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[1-[2-(4-phenylpiperazin-1-yl)ethyl]triazol-4-yl]methanone;hydrochloride is sourced from PubChem (CID 142648065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).