1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

C20H31N5O2 — CID 119063753

IUPAC1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCc1ccc(CN2CCCC(c3nnc(CN4CCC(O)CC4)n3C)C2)o1
InChIInChI=1S/C20H31N5O2/c1-15-5-6-18(27-15)13-25-9-3-4-16(12-25)20-22-21-19(23(20)2)14-24-10-7-17(26)8-11-24/h5-6,16-17,26H,3-4,7-14H2,1-2H3
InChIKeyJPYUWVBXQGRVTO-UHFFFAOYSA-N
MW373.50 g/mol
LogP2.05
Rot. Bonds5

About 1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (PubChem CID 119063753) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
PubChem CID119063753
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCc1ccc(CN2CCCC(c3nnc(CN4CCC(O)CC4)n3C)C2)o1
InChIInChI=1S/C20H31N5O2/c1-15-5-6-18(27-15)13-25-9-3-4-16(12-25)20-22-21-19(23(20)2)14-24-10-7-17(26)8-11-24/h5-6,16-17,26H,3-4,7-14H2,1-2H3
InChIKeyJPYUWVBXQGRVTO-UHFFFAOYSA-N
XLogP2.05
TPSA70.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

(3S)-1-[(5-methylfuran-2-yl)methyl]-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine
CID 97192132
1-[[5-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126441447
1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 119068753
1-[[4-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 119066132
1-[[4-methyl-5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126434317
1-[[5-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126426589
1-[[5-[(3S)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126446187
1-[[4-methyl-5-[(3S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95861036
1-[[5-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95873103
1-[[4-methyl-5-(1-pyridin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70717146
1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95871888
1-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70726015

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (CID 119063753) is 1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is Cc1ccc(CN2CCCC(c3nnc(CN4CCC(O)CC4)n3C)C2)o1.
What is the InChIKey of 1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is JPYUWVBXQGRVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-15-5-6-18(27-15)13-25-9-3-4-16(12-25)20-22-21-19(23(20)2)14-24-10-7-17(26)8-11-24/h5-6,16-17,26H,3-4,7-14H2,1-2H3.
What are the key properties of 1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 373.50 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-5-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 119063753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).