[2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

C21H29N5O2 — CID 72929961

IUPAC[2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCc1nc(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C21H29N5O2/c1-16-22-20(24-23-16)15-25-13-9-17(10-14-25)28-19-8-4-3-7-18(19)21(27)26-11-5-2-6-12-26/h3-4,7-8,17H,2,5-6,9-15H2,1H3,(H,22,23,24)
InChIKeyAARYUPVAOGYIEH-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.78
Rot. Bonds5

About [2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone

[2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (PubChem CID 72929961) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is [2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
PubChem CID72929961
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name[2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
SMILESCc1nc(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)n[nH]1
InChIInChI=1S/C21H29N5O2/c1-16-22-20(24-23-16)15-25-13-9-17(10-14-25)28-19-8-4-3-7-18(19)21(27)26-11-5-2-6-12-26/h3-4,7-8,17H,2,5-6,9-15H2,1H3,(H,22,23,24)
InChIKeyAARYUPVAOGYIEH-UHFFFAOYSA-N
XLogP2.78
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133452313
[2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 42150850
[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25385116
[2-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25293300
[2-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 56712666
[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25274515
[2-[1-(cyclopentylmethyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 26405720
[2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 42191016
(4-ethylpiperazin-1-yl)-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxyphenyl]methanone
CID 42291359
[2-[1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone
CID 25460818
[2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25381931
[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72865582

Frequently Asked Questions

What is the IUPAC name of [2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone (CID 72929961) is [2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is Cc1nc(CN2CCC(Oc3ccccc3C(=O)N3CCCCC3)CC2)n[nH]1.
What is the InChIKey of [2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
The InChIKey is AARYUPVAOGYIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16-22-20(24-23-16)15-25-13-9-17(10-14-25)28-19-8-4-3-7-18(19)21(27)26-11-5-2-6-12-26/h3-4,7-8,17H,2,5-6,9-15H2,1H3,(H,22,23,24).
What are the key properties of [2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone?
[2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone has a molecular weight of 383.50 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]oxyphenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 72929961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).