[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone

C19H27N5O2 — CID 42501917

IUPAC[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(CN2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)o1
InChIInChI=1S/C19H27N5O2/c1-15-5-6-17(26-15)13-22-11-7-16(8-12-22)24-14-18(20-21-24)19(25)23-9-3-2-4-10-23/h5-6,14,16H,2-4,7-13H2,1H3
InChIKeyRGYGQURBCFBYRB-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.64
Rot. Bonds4

About [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone

[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 42501917) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
PubChem CID42501917
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(CN2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)o1
InChIInChI=1S/C19H27N5O2/c1-15-5-6-17(26-15)13-22-11-7-16(8-12-22)24-14-18(20-21-24)19(25)23-9-3-2-4-10-23/h5-6,14,16H,2-4,7-13H2,1H3
InChIKeyRGYGQURBCFBYRB-UHFFFAOYSA-N
XLogP2.64
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26361715
[1-(1-cycloheptylpiperidin-4-yl)triazol-4-yl]-piperidin-1-ylmethanone
CID 26318869
[1-[1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 42398197
[1-[(3S)-1-[(4-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 26351120
[1-[1-[3-(furan-2-yl)prop-2-enyl]piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 74780672
ethyl 4-(1-cyclohexyltriazole-4-carbonyl)piperazine-1-carboxylate
CID 42342593
[1-[1-[[4-(2-methylphenyl)phenyl]methyl]piperidin-4-yl]triazol-4-yl]-morpholin-4-ylmethanone
CID 25292870
[1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-4-yl]triazol-4-yl]-pyrrolidin-1-ylmethanone
CID 56718022
3-(4-methoxyphenyl)-1-[4-[4-(piperidine-1-carbonyl)triazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 74441833
[1-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 45165944
[1-[(3S)-1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42247558
[1-[(3S)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]triazol-4-yl]-piperidin-1-ylmethanone
CID 42272938

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone (CID 42501917) is [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone is Cc1ccc(CN2CCC(n3cc(C(=O)N4CCCCC4)nn3)CC2)o1.
What is the InChIKey of [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is RGYGQURBCFBYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-15-5-6-17(26-15)13-22-11-7-16(8-12-22)24-14-18(20-21-24)19(25)23-9-3-2-4-10-23/h5-6,14,16H,2-4,7-13H2,1H3.
What are the key properties of [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone?
[1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 357.46 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42501917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).