1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one

C17H30N6O — CID 56802694

IUPAC1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCCCC2Cn2cncn2)CC1
InChIInChI=1S/C17H30N6O/c1-3-20-8-10-21(11-9-20)17(24)15(2)23-7-5-4-6-16(23)12-22-14-18-13-19-22/h13-16H,3-12H2,1-2H3
InChIKeyDJOMPVOBXGRKGV-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.69
Rot. Bonds5

About 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one

1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 56802694) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID56802694
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)C(C)N2CCCCC2Cn2cncn2)CC1
InChIInChI=1S/C17H30N6O/c1-3-20-8-10-21(11-9-20)17(24)15(2)23-7-5-4-6-16(23)12-22-14-18-13-19-22/h13-16H,3-12H2,1-2H3
InChIKeyDJOMPVOBXGRKGV-UHFFFAOYSA-N
XLogP0.69
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-1-one
CID 56802738
(2S)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95609865
(2S)-N-(1-cyanocyclohexyl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609770
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609906
(2S)-N-(furan-2-ylmethyl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95313988
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129461455
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314664
(2R)-N-(1,3-thiazol-2-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95314731
1-[2-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanoyl]piperidine-3-carboxamide
CID 56802669
N-(1-ethylpiperidin-4-yl)-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 95307679
2-(2-ethylazepan-1-yl)-1-piperazin-1-ylpropan-1-one
CID 104689975
(2R)-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 98765633

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one (CID 56802694) is 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one is CCN1CCN(C(=O)C(C)N2CCCCC2Cn2cncn2)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is DJOMPVOBXGRKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-3-20-8-10-21(11-9-20)17(24)15(2)23-7-5-4-6-16(23)12-22-14-18-13-19-22/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 334.47 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56802694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).