[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C20H28N6O — CID 56755933

IUPAC[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCc1cn[nH]c1C1CCN(C2CCN(C(=O)c3cnccn3)CC2)CC1
InChIInChI=1S/C20H28N6O/c1-2-15-13-23-24-19(15)16-3-9-25(10-4-16)17-5-11-26(12-6-17)20(27)18-14-21-7-8-22-18/h7-8,13-14,16-17H,2-6,9-12H2,1H3,(H,23,24)
InChIKeyHNZIELAKRMMUIX-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.25
Rot. Bonds4

About [4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 56755933) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is [4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID56755933
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCc1cn[nH]c1C1CCN(C2CCN(C(=O)c3cnccn3)CC2)CC1
InChIInChI=1S/C20H28N6O/c1-2-15-13-23-24-19(15)16-3-9-25(10-4-16)17-5-11-26(12-6-17)20(27)18-14-21-7-8-22-18/h7-8,13-14,16-17H,2-6,9-12H2,1H3,(H,23,24)
InChIKeyHNZIELAKRMMUIX-UHFFFAOYSA-N
XLogP2.25
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[1-(2-aminoethyl)triazol-4-yl]-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 70725503
[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494
pyrazin-2-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841608
[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone
CID 42164676
ethyl 5-[4-(4-ethyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 56742395
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
[4-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 99973656
[4-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 126436258
[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110117008
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110270767
[4-[3-(2-methoxyphenoxy)pyrazin-2-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95822355

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 56755933) is [4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is CCc1cn[nH]c1C1CCN(C2CCN(C(=O)c3cnccn3)CC2)CC1.
What is the InChIKey of [4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is HNZIELAKRMMUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-2-15-13-23-24-19(15)16-3-9-25(10-4-16)17-5-11-26(12-6-17)20(27)18-14-21-7-8-22-18/h7-8,13-14,16-17H,2-6,9-12H2,1H3,(H,23,24).
What are the key properties of [4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 368.49 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 56755933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).