(4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone

C21H26ClN5O — CID 75584204

IUPAC(4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone
SMILESO=C(C1NNNC1Nc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H26ClN5O/c22-17-6-8-18(9-7-17)23-20-19(24-26-25-20)21(28)27-12-10-16(11-13-27)14-15-4-2-1-3-5-15/h1-9,16,19-20,23-26H,10-14H2
InChIKeyWSDPTGQIXQZPLT-UHFFFAOYSA-N
MW399.93 g/mol
LogP2.54
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone

(4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone (PubChem CID 75584204) has the molecular formula C21H26ClN5O and a molecular weight of 399.93 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone
PubChem CID75584204
Molecular FormulaC21H26ClN5O
Molecular Weight399.93 g/mol
Exact Mass399.18
IUPAC Name(4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone
SMILESO=C(C1NNNC1Nc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H26ClN5O/c22-17-6-8-18(9-7-17)23-20-19(24-26-25-20)21(28)27-12-10-16(11-13-27)14-15-4-2-1-3-5-15/h1-9,16,19-20,23-26H,10-14H2
InChIKeyWSDPTGQIXQZPLT-UHFFFAOYSA-N
XLogP2.54
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.93
LogP ≤ 52.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperidine-1-carbonyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 109140259
2-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-(4-chlorophenyl)ethanone
CID 110825251
[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-(oxiran-2-yl)methanone
CID 154879762
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
(4-benzylpiperidin-1-yl)-[1-(2,6-dichlorophenyl)sulfonylpiperidin-4-yl]methanone
CID 26590906
4-benzyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 108867010
2-(4-benzylpiperidin-1-yl)-N-(2-chloroethyl)-2-oxoacetamide
CID 108506967
1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
5-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(4-chlorophenyl)-1H-pyrimidin-6-one
CID 92648935

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone (CID 75584204) is (4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone is O=C(C1NNNC1Nc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone?
The InChIKey is WSDPTGQIXQZPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN5O/c22-17-6-8-18(9-7-17)23-20-19(24-26-25-20)21(28)27-12-10-16(11-13-27)14-15-4-2-1-3-5-15/h1-9,16,19-20,23-26H,10-14H2.
What are the key properties of (4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone?
(4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone has a molecular weight of 399.93 g/mol, XLogP of 2.54, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[5-(4-chloroanilino)triazolidin-4-yl]methanone is sourced from PubChem (CID 75584204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).