(3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

C10H16N4O2 — CID 102677708

IUPAC(3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCOC1CN(C(=O)c2ncn[nH]2)CCC1C
InChIInChI=1S/C10H16N4O2/c1-7-3-4-14(5-8(7)16-2)10(15)9-11-6-12-13-9/h6-8H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyFZTGHHFTQDWOTB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.30
Rot. Bonds2

About (3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone

(3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (PubChem CID 102677708) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.

Molecular Properties

Compound Name(3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
PubChem CID102677708
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name(3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
SMILESCOC1CN(C(=O)c2ncn[nH]2)CCC1C
InChIInChI=1S/C10H16N4O2/c1-7-3-4-14(5-8(7)16-2)10(15)9-11-6-12-13-9/h6-8H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyFZTGHHFTQDWOTB-UHFFFAOYSA-N
XLogP0.30
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-{2-oxo-2-[3-(4H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl}morpholine
CID 90650699
N-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]-1H-1,2,4-triazole-5-carboxamide
CID 124214221
[(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129256189
[(3R,4S)-3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129256194
[(4S)-3,3-difluoro-4-methoxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129260771
[(3R,4S)-4-ethoxy-3-fluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129260882
[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129261091
[(4S)-4-ethoxy-3,3-difluoropiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 129270831
[(3R,4S)-3-fluoro-4-(2-methylpentan-2-yloxy)piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 138705977
Ethyl 1-(1H-1,2,4-triazol-3-ylcarbonyl)-4-piperidinecarboxylate
CID 593545
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4H-1,2,4-triazole-3-carboxamide
CID 132228233
(3-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 5102702

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The IUPAC name of (3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone (CID 102677708) is (3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone.
What is the SMILES notation for (3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The canonical SMILES for (3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is COC1CN(C(=O)c2ncn[nH]2)CCC1C.
What is the InChIKey of (3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
The InChIKey is FZTGHHFTQDWOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-3-4-14(5-8(7)16-2)10(15)9-11-6-12-13-9/h6-8H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of (3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone?
(3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylpiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone is sourced from PubChem (CID 102677708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).