1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C15H24N6O2 — CID 125179887

IUPAC1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(Cc2ncn[nH]2)CC1
InChIInChI=1S/C15H24N6O2/c1-12(22)21-5-3-2-4-13(21)15(23)20-8-6-19(7-9-20)10-14-16-11-17-18-14/h11,13H,2-10H2,1H3,(H,16,17,18)/t13-/m1/s1
InChIKeyPITHDCIDEOIWAX-CYBMUJFWSA-N
MW320.40 g/mol
LogP-0.15
Rot. Bonds3

About 1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 125179887) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID125179887
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1C(=O)N1CCN(Cc2ncn[nH]2)CC1
InChIInChI=1S/C15H24N6O2/c1-12(22)21-5-3-2-4-13(21)15(23)20-8-6-19(7-9-20)10-14-16-11-17-18-14/h11,13H,2-10H2,1H3,(H,16,17,18)/t13-/m1/s1
InChIKeyPITHDCIDEOIWAX-CYBMUJFWSA-N
XLogP-0.15
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-(4-ethylpiperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 53015941
1-(1-methylazetidin-3-yl)-4-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 167980776
[(4S)-2,3,4,5-tetrahydro-1-benzoxepin-4-yl]-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]methanone
CID 125156626
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]azepane-2-carboxylic acid
CID 64561965
1-(cyclopropanecarbonyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 54885097
1-[(2S)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 75479662
1-[(2R)-2-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 94551535
1-[3-(1H-1,2,4-triazol-5-yl)propylcarbamoyl]azepane-2-carboxylic acid
CID 64561967
1-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]piperidine-2-carboxylic acid
CID 64547804
1-[methyl(1H-1,2,4-triazol-5-ylmethyl)sulfamoyl]piperidine-2-carboxylic acid
CID 64511039
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-(2,2-dimethylpropanoyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrrolidine-2-carboxamide
CID 64511827

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 125179887) is 1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@@H]1C(=O)N1CCN(Cc2ncn[nH]2)CC1.
What is the InChIKey of 1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is PITHDCIDEOIWAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-12(22)21-5-3-2-4-13(21)15(23)20-8-6-19(7-9-20)10-14-16-11-17-18-14/h11,13H,2-10H2,1H3,(H,16,17,18)/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 320.40 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 125179887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).