2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C15H26N6O — CID 154741561

IUPAC2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C15H26N6O/c1-16-10-15(22)21-6-2-3-12(11-21)13-9-14(19-18-13)20-7-4-17-5-8-20/h9,12,16-17H,2-8,10-11H2,1H3,(H,18,19)
InChIKeyHOIHODREWQIAPM-UHFFFAOYSA-N
MW306.41 g/mol
LogP-0.26
Rot. Bonds4

About 2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 154741561) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID154741561
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C15H26N6O/c1-16-10-15(22)21-6-2-3-12(11-21)13-9-14(19-18-13)20-7-4-17-5-8-20/h9,12,16-17H,2-8,10-11H2,1H3,(H,18,19)
InChIKeyHOIHODREWQIAPM-UHFFFAOYSA-N
XLogP-0.26
TPSA76.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 154741561) is 2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is CNCC(=O)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1.
What is the InChIKey of 2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is HOIHODREWQIAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-16-10-15(22)21-6-2-3-12(11-21)13-9-14(19-18-13)20-7-4-17-5-8-20/h9,12,16-17H,2-8,10-11H2,1H3,(H,18,19).
What are the key properties of 2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 306.41 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 154741561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).