[5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C20H25ClN6O2 — CID 75584329

IUPAC[5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)C3NNNC3Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H25ClN6O2/c1-29-17-7-3-6-16(13-17)26-8-10-27(11-9-26)20(28)18-19(24-25-23-18)22-15-5-2-4-14(21)12-15/h2-7,12-13,18-19,22-25H,8-11H2,1H3
InChIKeyBIWLEIBCOJLALK-UHFFFAOYSA-N
MW416.91 g/mol
LogP1.42
Rot. Bonds5

About [5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

[5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 75584329) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is [5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID75584329
Molecular FormulaC20H25ClN6O2
Molecular Weight416.91 g/mol
Exact Mass416.17
IUPAC Name[5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)C3NNNC3Nc3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C20H25ClN6O2/c1-29-17-7-3-6-16(13-17)26-8-10-27(11-9-26)20(28)18-19(24-25-23-18)22-15-5-2-4-14(21)12-15/h2-7,12-13,18-19,22-25H,8-11H2,1H3
InChIKeyBIWLEIBCOJLALK-UHFFFAOYSA-N
XLogP1.42
TPSA80.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[5-(3-chloroanilino)triazolidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 75584345
(4S)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 8550212
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(2,4-dimethoxyphenyl)pyrazolidin-3-yl]methanone
CID 75283616
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(4-methoxybenzoyl)piperidin-4-yl]methanone
CID 126058914
methyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3752841
3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 17379074
(1S,2S,3S,4R)-3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 27519473
2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 3696212
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 44901895
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
[(1S,3S)-3-aminocyclopentyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 124691079

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 75584329) is [5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)C3NNNC3Nc3cccc(Cl)c3)CC2)c1.
What is the InChIKey of [5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is BIWLEIBCOJLALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O2/c1-29-17-7-3-6-16(13-17)26-8-10-27(11-9-26)20(28)18-19(24-25-23-18)22-15-5-2-4-14(21)12-15/h2-7,12-13,18-19,22-25H,8-11H2,1H3.
What are the key properties of [5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
[5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 416.91 g/mol, XLogP of 1.42, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 75584329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).