[4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride

C19H28ClN5O2 — CID 119561301

IUPAC[4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)CC1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-13(2)26-17-7-5-16(6-8-17)24-14(3)18(21-22-24)19(25)23-11-9-15(20-4)10-12-23;/h5-8,13,15,20H,9-12H2,1-4H3;1H
InChIKeyCGDXZTUCEKVPKP-UHFFFAOYSA-N
MW393.92 g/mol
LogP2.61
Rot. Bonds5

About [4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride

[4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride (PubChem CID 119561301) has the molecular formula C19H28ClN5O2 and a molecular weight of 393.92 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
PubChem CID119561301
Molecular FormulaC19H28ClN5O2
Molecular Weight393.92 g/mol
Exact Mass393.19
IUPAC Name[4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)CC1.Cl
InChIInChI=1S/C19H27N5O2.ClH/c1-13(2)26-17-7-5-16(6-8-17)24-14(3)18(21-22-24)19(25)23-11-9-15(20-4)10-12-23;/h5-8,13,15,20H,9-12H2,1-4H3;1H
InChIKeyCGDXZTUCEKVPKP-UHFFFAOYSA-N
XLogP2.61
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride (CID 119561301) is [4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride is CNC1CCN(C(=O)c2nnn(-c3ccc(OC(C)C)cc3)c2C)CC1.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride?
The InChIKey is CGDXZTUCEKVPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2.ClH/c1-13(2)26-17-7-5-16(6-8-17)24-14(3)18(21-22-24)19(25)23-11-9-15(20-4)10-12-23;/h5-8,13,15,20H,9-12H2,1-4H3;1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride?
[4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride has a molecular weight of 393.92 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-[5-methyl-1-(4-propan-2-yloxyphenyl)triazol-4-yl]methanone;hydrochloride is sourced from PubChem (CID 119561301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).