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

C14H23N5O — CID 138033141

IUPAC1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C14H23N5O/c1-11(20)19-6-2-3-12(10-19)13-9-14(17-16-13)18-7-4-15-5-8-18/h9,12,15H,2-8,10H2,1H3,(H,16,17)
InChIKeyYVIKSFUHQMAFSR-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.55
Rot. Bonds2

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

1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 138033141) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID138033141
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1
InChIInChI=1S/C14H23N5O/c1-11(20)19-6-2-3-12(10-19)13-9-14(17-16-13)18-7-4-15-5-8-18/h9,12,15H,2-8,10H2,1H3,(H,16,17)
InChIKeyYVIKSFUHQMAFSR-UHFFFAOYSA-N
XLogP0.55
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 154741561
2-cyclopropyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 138033155
3-amino-2,2-dimethyl-1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 138033137
(4-methyl-2,3-dihydro-1H-indol-2-yl)-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 154843994
1-[3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110253971
3-[[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 138057970
1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 62867071
1-[(3S)-3-[6-(4-methylpiperidin-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95824949
1-[5-(1-propan-2-ylpiperidin-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092508
(4-pyrazol-1-ylpiperidin-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 120936316
3-(3-carbamoyl-1H-pyrazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 75378433
1-[3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110101486

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 138033141) is 1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2cc(N3CCNCC3)n[nH]2)C1.
What is the InChIKey of 1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is YVIKSFUHQMAFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(20)19-6-2-3-12(10-19)13-9-14(17-16-13)18-7-4-15-5-8-18/h9,12,15H,2-8,10H2,1H3,(H,16,17).
What are the key properties of 1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-piperazin-1-yl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 138033141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).