N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide

C17H29N5O2 — CID 172899925

IUPACN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
SMILESCc1nnc(CN2CCC(CN(C)C(=O)C3CCOC3)CC2)n1C
InChIInChI=1S/C17H29N5O2/c1-13-18-19-16(21(13)3)11-22-7-4-14(5-8-22)10-20(2)17(23)15-6-9-24-12-15/h14-15H,4-12H2,1-3H3
InChIKeyGXQBYEOHDLXBPO-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.83
Rot. Bonds5

About N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide

N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide (PubChem CID 172899925) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
PubChem CID172899925
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
SMILESCc1nnc(CN2CCC(CN(C)C(=O)C3CCOC3)CC2)n1C
InChIInChI=1S/C17H29N5O2/c1-13-18-19-16(21(13)3)11-22-7-4-14(5-8-22)10-20(2)17(23)15-6-9-24-12-15/h14-15H,4-12H2,1-3H3
InChIKeyGXQBYEOHDLXBPO-UHFFFAOYSA-N
XLogP0.83
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide with MolForge

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Related Compounds

N-[[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
CID 172900866
N-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 172902079
N-[[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide
CID 172900865
N-methyl-N-[[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 171335666
N-methyl-N-(2-piperazin-1-ylethyl)oxolane-3-carboxamide
CID 63265616
N-methyl-N-(oxan-4-ylmethyl)cyclohexanecarboxamide
CID 110752395
N-methyl-N-(piperidin-3-ylmethyl)oxolane-3-carboxamide
CID 106627645
N-cyclopropyl-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
CID 49442005
N,1,5-trimethyl-N-[[1-(oxolan-3-ylmethyl)piperidin-4-yl]methyl]pyrazole-3-carboxamide
CID 172899868
4-cyclopropylidene-1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 121184292
N-(2-hydroxy-2-methylpropyl)-N-methyloxolane-3-carboxamide
CID 79381210
N-(5-aminopentyl)-N-methyloxolane-3-carboxamide
CID 107206578

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide (CID 172899925) is N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide is Cc1nnc(CN2CCC(CN(C)C(=O)C3CCOC3)CC2)n1C.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
The InChIKey is GXQBYEOHDLXBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13-18-19-16(21(13)3)11-22-7-4-14(5-8-22)10-20(2)17(23)15-6-9-24-12-15/h14-15H,4-12H2,1-3H3.
What are the key properties of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide?
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]-N-methyloxolane-3-carboxamide is sourced from PubChem (CID 172899925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).