2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone

C20H32N4O — CID 19333980

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCCn1cc(CN2CCN(C(=O)CC3CC4CCC3C4)CC2)c(C)n1
InChIInChI=1S/C20H32N4O/c1-3-24-14-19(15(2)21-24)13-22-6-8-23(9-7-22)20(25)12-18-11-16-4-5-17(18)10-16/h14,16-18H,3-13H2,1-2H3
InChIKeyQUZLECXDCKCINB-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.68
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone

2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 19333980) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
PubChem CID19333980
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone
SMILESCCn1cc(CN2CCN(C(=O)CC3CC4CCC3C4)CC2)c(C)n1
InChIInChI=1S/C20H32N4O/c1-3-24-14-19(15(2)21-24)13-22-6-8-23(9-7-22)20(25)12-18-11-16-4-5-17(18)10-16/h14,16-18H,3-13H2,1-2H3
InChIKeyQUZLECXDCKCINB-UHFFFAOYSA-N
XLogP2.68
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 98752256
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51594824
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 19572710
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19295318
N-(1-adamantyl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide
CID 19293596
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 51144911
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 46971837
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(2-chloroethyl)piperazin-1-yl]ethanone
CID 63395212
3-[2-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione;hydrochloride
CID 171667409
(1-ethyl-5-methylpyrazol-4-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19478179
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 98762170

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone (CID 19333980) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone is CCn1cc(CN2CCN(C(=O)CC3CC4CCC3C4)CC2)c(C)n1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is QUZLECXDCKCINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-3-24-14-19(15(2)21-24)13-22-6-8-23(9-7-22)20(25)12-18-11-16-4-5-17(18)10-16/h14,16-18H,3-13H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone?
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 344.50 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 19333980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).