4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one

C19H28N6O2 — CID 31125459

IUPAC4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1Cc1cn(C2CCN(Cc3ccco3)CC2)nn1
InChIInChI=1S/C19H28N6O2/c1-19(2)18(26)20-7-10-24(19)12-15-13-25(22-21-15)16-5-8-23(9-6-16)14-17-4-3-11-27-17/h3-4,11,13,16H,5-10,12,14H2,1-2H3,(H,20,26)
InChIKeyJWDRGKVTTJOJCG-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.42
Rot. Bonds5

About 4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one

4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one (PubChem CID 31125459) has the molecular formula C19H28N6O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
PubChem CID31125459
Molecular FormulaC19H28N6O2
Molecular Weight372.47 g/mol
Exact Mass372.23
IUPAC Name4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1Cc1cn(C2CCN(Cc3ccco3)CC2)nn1
InChIInChI=1S/C19H28N6O2/c1-19(2)18(26)20-7-10-24(19)12-15-13-25(22-21-15)16-5-8-23(9-6-16)14-17-4-3-11-27-17/h3-4,11,13,16H,5-10,12,14H2,1-2H3,(H,20,26)
InChIKeyJWDRGKVTTJOJCG-UHFFFAOYSA-N
XLogP1.42
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one with MolForge

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Related Compounds

4-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 154885995
9-(furan-2-ylmethyl)-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one;bis(2,2,2-trifluoroacetic acid)
CID 118746910
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
1-[[1-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-1,4-diazepan-5-one
CID 45182627
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
4-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one
CID 126770287
4-[(3-bromophenyl)methyl]-3,3-dimethylpiperazin-2-one
CID 63607709
[4-[4-[(2,2-dimethylpyrrolidin-1-yl)methyl]triazol-1-yl]piperidin-1-yl]-(furan-3-yl)methanone
CID 31017774
[1-[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]triazol-4-yl]methanol;2,2,2-trifluoroacetic acid
CID 154887753
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 77093957
(3S)-1-[[1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]pyrrolidin-3-ol
CID 31135307
4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138380022

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one (CID 31125459) is 4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1Cc1cn(C2CCN(Cc3ccco3)CC2)nn1.
What is the InChIKey of 4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one?
The InChIKey is JWDRGKVTTJOJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2/c1-19(2)18(26)20-7-10-24(19)12-15-13-25(22-21-15)16-5-8-23(9-6-16)14-17-4-3-11-27-17/h3-4,11,13,16H,5-10,12,14H2,1-2H3,(H,20,26).
What are the key properties of 4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one?
4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one has a molecular weight of 372.47 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-(furan-2-ylmethyl)piperidin-4-yl]triazol-4-yl]methyl]-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 31125459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).