(2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C19H26N4O — CID 71876791

IUPAC(2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3nncn3C(C)C)CC2)c(C)c1
InChIInChI=1S/C19H26N4O/c1-13(2)23-12-20-21-18(23)16-7-9-22(10-8-16)19(24)17-6-5-14(3)11-15(17)4/h5-6,11-13,16H,7-10H2,1-4H3
InChIKeyFQIJRBGUVMPNLG-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.50
Rot. Bonds3

About (2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

(2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 71876791) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID71876791
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name(2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCc1ccc(C(=O)N2CCC(c3nncn3C(C)C)CC2)c(C)c1
InChIInChI=1S/C19H26N4O/c1-13(2)23-12-20-21-18(23)16-7-9-22(10-8-16)19(24)17-6-5-14(3)11-15(17)4/h5-6,11-13,16H,7-10H2,1-4H3
InChIKeyFQIJRBGUVMPNLG-UHFFFAOYSA-N
XLogP3.50
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 106838914
1-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]prop-2-en-1-one
CID 166406125
1H-indazol-3-yl-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 53192626
[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 95111210
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834
N,N-dimethyl-2-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]thiophene-3-sulfonamide
CID 138999797
1-(2,4-dimethylbenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 84546564
(2,5-difluorophenyl)-[(3R)-3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 97019126
2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-4-one
CID 53165281
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 71876791) is (2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is Cc1ccc(C(=O)N2CCC(c3nncn3C(C)C)CC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is FQIJRBGUVMPNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-13(2)23-12-20-21-18(23)16-7-9-22(10-8-16)19(24)17-6-5-14(3)11-15(17)4/h5-6,11-13,16H,7-10H2,1-4H3.
What are the key properties of (2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
(2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71876791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).