N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

C18H25N5O2 — CID 120890077

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOCC1(CNC(=O)c2ccccc2Cn2cncn2)CCNCC1
InChIInChI=1S/C18H25N5O2/c1-25-12-18(6-8-19-9-7-18)11-21-17(24)16-5-3-2-4-15(16)10-23-14-20-13-22-23/h2-5,13-14,19H,6-12H2,1H3,(H,21,24)
InChIKeyQLXYMNBVEWBZHB-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.07
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 120890077) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID120890077
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCOCC1(CNC(=O)c2ccccc2Cn2cncn2)CCNCC1
InChIInChI=1S/C18H25N5O2/c1-25-12-18(6-8-19-9-7-18)11-21-17(24)16-5-3-2-4-15(16)10-23-14-20-13-22-23/h2-5,13-14,19H,6-12H2,1H3,(H,21,24)
InChIKeyQLXYMNBVEWBZHB-UHFFFAOYSA-N
XLogP1.07
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
N-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 154839039
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
1-[(2-chlorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide;hydrochloride
CID 120888529
4-methoxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119846798
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 119394078
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888588
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120948225
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (CID 120890077) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is COCC1(CNC(=O)c2ccccc2Cn2cncn2)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is QLXYMNBVEWBZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-25-12-18(6-8-19-9-7-18)11-21-17(24)16-5-3-2-4-15(16)10-23-14-20-13-22-23/h2-5,13-14,19H,6-12H2,1H3,(H,21,24).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 343.43 g/mol, XLogP of 1.07, 7 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-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 120890077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).