2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C17H29N5O — CID 90507340

IUPAC2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1n[nH]c(C)c1N1CCN(CC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C17H29N5O/c1-13-4-6-21(7-5-13)16(23)12-20-8-10-22(11-9-20)17-14(2)18-19-15(17)3/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyKURPCVVYSPEODZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.41
Rot. Bonds3

About 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 90507340) has the molecular formula C17H29N5O and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID90507340
Molecular FormulaC17H29N5O
Molecular Weight319.45 g/mol
Exact Mass319.24
IUPAC Name2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1n[nH]c(C)c1N1CCN(CC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C17H29N5O/c1-13-4-6-21(7-5-13)16(23)12-20-8-10-22(11-9-20)17-14(2)18-19-15(17)3/h13H,4-12H2,1-3H3,(H,18,19)
InChIKeyKURPCVVYSPEODZ-UHFFFAOYSA-N
XLogP1.41
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 90507422
1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]pentan-1-one
CID 90506378
2-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521829
1-(4-methylpiperidin-1-yl)-2-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 110684423
2-methyl-5-[4-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]pyridazin-3-one
CID 171992857
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506533
2-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 165432101
2-(4-methylpiperidin-1-yl)-1-pyrrolidin-1-ylethanone
CID 39903910
1-(4-ethylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 59555423
2-(2-chlorophenyl)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506507
2-(4-acetyl-1,4-diazepan-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 127883264
2-benzylsulfanyl-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]ethanone
CID 90506462

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 90507340) is 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is Cc1n[nH]c(C)c1N1CCN(CC(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is KURPCVVYSPEODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O/c1-13-4-6-21(7-5-13)16(23)12-20-8-10-22(11-9-20)17-14(2)18-19-15(17)3/h13H,4-12H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 319.45 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 90507340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).