N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

C16H27N5O2 — CID 131922768

IUPACN-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCCn1ncnc1CN1CCC(CNC(=O)C2CCOC2)CC1
InChIInChI=1S/C16H27N5O2/c1-2-21-15(18-12-19-21)10-20-6-3-13(4-7-20)9-17-16(22)14-5-8-23-11-14/h12-14H,2-11H2,1H3,(H,17,22)
InChIKeyJMPMULLUGZRHOV-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.66
Rot. Bonds6

About N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 131922768) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID131922768
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCCn1ncnc1CN1CCC(CNC(=O)C2CCOC2)CC1
InChIInChI=1S/C16H27N5O2/c1-2-21-15(18-12-19-21)10-20-6-3-13(4-7-20)9-17-16(22)14-5-8-23-11-14/h12-14H,2-11H2,1H3,(H,17,22)
InChIKeyJMPMULLUGZRHOV-UHFFFAOYSA-N
XLogP0.66
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide with MolForge

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Related Compounds

N-[[1-(3-methylpyrazin-2-yl)piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131950838
N-[[1-[(6-chloro-3-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131932305
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate
CID 113331028
N-[[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 131907956
5-[[(3S)-3-(cyclopentylmethyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 100699656
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114502580
methyl (2R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxylate
CID 113331160
3-[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79735044
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
1-[(1-ethylpiperidin-4-yl)methyl]-3-(oxolan-3-yl)urea
CID 113321980
N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
CID 99827639

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide (CID 131922768) is N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is CCn1ncnc1CN1CCC(CNC(=O)C2CCOC2)CC1.
What is the InChIKey of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is JMPMULLUGZRHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-2-21-15(18-12-19-21)10-20-6-3-13(4-7-20)9-17-16(22)14-5-8-23-11-14/h12-14H,2-11H2,1H3,(H,17,22).
What are the key properties of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 321.43 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 131922768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).