4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one

C17H26N8O — CID 31106734

IUPAC4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one
SMILESCc1ncc(CN2CCC(n3cc(CN4CCNC(=O)C4)nn3)CC2)[nH]1
InChIInChI=1S/C17H26N8O/c1-13-19-8-14(20-13)9-23-5-2-16(3-6-23)25-11-15(21-22-25)10-24-7-4-18-17(26)12-24/h8,11,16H,2-7,9-10,12H2,1H3,(H,18,26)(H,19,20)
InChIKeyABAHOKLJFHLNCO-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.08
Rot. Bonds5

About 4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one

4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one (PubChem CID 31106734) has the molecular formula C17H26N8O and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one
PubChem CID31106734
Molecular FormulaC17H26N8O
Molecular Weight358.45 g/mol
Exact Mass358.22
IUPAC Name4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one
SMILESCc1ncc(CN2CCC(n3cc(CN4CCNC(=O)C4)nn3)CC2)[nH]1
InChIInChI=1S/C17H26N8O/c1-13-19-8-14(20-13)9-23-5-2-16(3-6-23)25-11-15(21-22-25)10-24-7-4-18-17(26)12-24/h8,11,16H,2-7,9-10,12H2,1H3,(H,18,26)(H,19,20)
InChIKeyABAHOKLJFHLNCO-UHFFFAOYSA-N
XLogP0.08
TPSA94.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72043991
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 72127418
(2-propan-2-yl-1H-imidazol-5-yl)-[3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 72128796
[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 72141944
1H-imidazol-5-yl-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 72141976
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-3-(triazol-1-yl)propanamide
CID 72149743
N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-2-(1,2,4-triazol-1-yl)acetamide
CID 72149761
1-[(2-methyl-1H-imidazol-4-yl)carbonyl]-4-[4-(pyrrolidin-1-ylmethyl)-1H-1,2,3-triazol-1-yl]piperidine
CID 31134760
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1H-imidazole-2-carboxamide
CID 91793008
9-[(2-butyl-1H-imidazol-4-yl)methyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56757707
[4-[(2-amino-1H-imidazol-5-yl)methyl]piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122191364
4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one;bis(2,2,2-trifluoroacetic acid)
CID 154924581

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one?
The IUPAC name of 4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one (CID 31106734) is 4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one is Cc1ncc(CN2CCC(n3cc(CN4CCNC(=O)C4)nn3)CC2)[nH]1.
What is the InChIKey of 4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one?
The InChIKey is ABAHOKLJFHLNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O/c1-13-19-8-14(20-13)9-23-5-2-16(3-6-23)25-11-15(21-22-25)10-24-7-4-18-17(26)12-24/h8,11,16H,2-7,9-10,12H2,1H3,(H,18,26)(H,19,20).
What are the key properties of 4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one?
4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one has a molecular weight of 358.45 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]triazol-4-yl]methyl]piperazin-2-one is sourced from PubChem (CID 31106734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).