N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide

C17H23N5O2 — CID 120887619

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2cnn(-c3ccccc3)n2)CCNCC1
InChIInChI=1S/C17H23N5O2/c1-24-13-17(7-9-18-10-8-17)12-19-16(23)15-11-20-22(21-15)14-5-3-2-4-6-14/h2-6,11,18H,7-10,12-13H2,1H3,(H,19,23)
InChIKeyIVZBIOKYXIOSLH-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.01
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide (PubChem CID 120887619) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
PubChem CID120887619
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
SMILESCOCC1(CNC(=O)c2cnn(-c3ccccc3)n2)CCNCC1
InChIInChI=1S/C17H23N5O2/c1-24-13-17(7-9-18-10-8-17)12-19-16(23)15-11-20-22(21-15)14-5-3-2-4-6-14/h2-6,11,18H,7-10,12-13H2,1H3,(H,19,23)
InChIKeyIVZBIOKYXIOSLH-UHFFFAOYSA-N
XLogP1.01
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenylpyrazole-4-carboxamide
CID 120888288
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-phenyltriazole-4-carboxamide;hydrochloride
CID 120890524
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-phenyltriazole-4-carboxamide
CID 18165130
N-(4-methylpiperidin-4-yl)-2-phenyltriazole-4-carboxamide
CID 114696468
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]quinoxaline-2-carboxamide
CID 120891616
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 120887142
1-[[(2-phenyltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544026
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-phenyl-1,3-oxazole-4-carboxamide
CID 120891409
1-(3-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120892083
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide (CID 120887619) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide is COCC1(CNC(=O)c2cnn(-c3ccccc3)n2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide?
The InChIKey is IVZBIOKYXIOSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-13-17(7-9-18-10-8-17)12-19-16(23)15-11-20-22(21-15)14-5-3-2-4-6-14/h2-6,11,18H,7-10,12-13H2,1H3,(H,19,23).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.01, 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]-2-phenyltriazole-4-carboxamide is sourced from PubChem (CID 120887619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).