1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one

C17H30N6O — CID 138808754

IUPAC1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one
SMILESCC(C)N1CC(CN2CCN(CCn3cncn3)CC2)CCC1=O
InChIInChI=1S/C17H30N6O/c1-15(2)23-12-16(3-4-17(23)24)11-21-7-5-20(6-8-21)9-10-22-14-18-13-19-22/h13-16H,3-12H2,1-2H3
InChIKeyPXNNVCDKTKJTFK-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.54
Rot. Bonds6

About 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one

1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one (PubChem CID 138808754) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one
PubChem CID138808754
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one
SMILESCC(C)N1CC(CN2CCN(CCn3cncn3)CC2)CCC1=O
InChIInChI=1S/C17H30N6O/c1-15(2)23-12-16(3-4-17(23)24)11-21-7-5-20(6-8-21)9-10-22-14-18-13-19-22/h13-16H,3-12H2,1-2H3
InChIKeyPXNNVCDKTKJTFK-UHFFFAOYSA-N
XLogP0.54
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one with MolForge

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Related Compounds

N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N,1'-dimethyl-1,4'-bipiperidine-3-carboxamide
CID 56878147
N,1'-dimethyl-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-1,4'-bipiperidine-3-carboxamide
CID 56879690
(1R*,5R*)-N,N-dimethyl-6-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 133122957
1'-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-(pyrrolidin-1-ylcarbonyl)-1,4'-bipiperidine
CID 56880275
(1R,5R)-N,N-dimethyl-6-[4-(1,2,4-triazol-1-yl)butanoyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72933673
(2S)-1-(4-acetylpiperazin-1-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 129426851
[3-(1,2,4-Triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 72143053
[(3R)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 95736552
[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methanone
CID 95736553
1-(2,6-Dimethylmorpholin-4-yl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 53608652
3,7-dimethyl-11-[4-(1H-1,2,4-triazol-1-yl)butanoyl]-3,7,11-triazaspiro[5.6]dodecane
CID 56746751
N-(2-methoxyethyl)-1'-(1H-1,2,4-triazol-1-ylacetyl)-1,4'-bipiperidine-3-carboxamide
CID 56863282

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one?
The IUPAC name of 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one (CID 138808754) is 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one is CC(C)N1CC(CN2CCN(CCn3cncn3)CC2)CCC1=O.
What is the InChIKey of 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one?
The InChIKey is PXNNVCDKTKJTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-15(2)23-12-16(3-4-17(23)24)11-21-7-5-20(6-8-21)9-10-22-14-18-13-19-22/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one?
1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one has a molecular weight of 334.47 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 138808754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).