N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride

C17H24ClN5O2 — CID 120890524

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cn(-c3ccccc3)nn2)CCNCC1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-24-13-17(7-9-18-10-8-17)12-19-16(23)15-11-22(21-20-15)14-5-3-2-4-6-14;/h2-6,11,18H,7-10,12-13H2,1H3,(H,19,23);1H
InChIKeyVBLNQDXWWNZRQZ-UHFFFAOYSA-N
MW365.87 g/mol
LogP1.44
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride (PubChem CID 120890524) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
PubChem CID120890524
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)c2cn(-c3ccccc3)nn2)CCNCC1.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-24-13-17(7-9-18-10-8-17)12-19-16(23)15-11-22(21-20-15)14-5-3-2-4-6-14;/h2-6,11,18H,7-10,12-13H2,1H3,(H,19,23);1H
InChIKeyVBLNQDXWWNZRQZ-UHFFFAOYSA-N
XLogP1.44
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 120890672
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 120888288
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(thiophen-2-ylmethyl)triazole-4-carboxamide;hydrochloride
CID 120889134
N-[(1-hydroxycycloheptyl)methyl]-1-phenyltriazole-4-carboxamide
CID 111433180
1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120892083
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide;hydrochloride
CID 120892061
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120890188
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120887142
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 120887911

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride (CID 120890524) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride is COCC1(CNC(=O)c2cn(-c3ccccc3)nn2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride?
The InChIKey is VBLNQDXWWNZRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-24-13-17(7-9-18-10-8-17)12-19-16(23)15-11-22(21-20-15)14-5-3-2-4-6-14;/h2-6,11,18H,7-10,12-13H2,1H3,(H,19,23);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120890524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).