ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone

C22H36N2O — CID 155710492

IUPACethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone
SMILESCC.CC(C)Cc1ccc(N2CCN(C(=O)C3(C)CCC3)CC2)cc1
InChIInChI=1S/C20H30N2O.C2H6/c1-16(2)15-17-5-7-18(8-6-17)21-11-13-22(14-12-21)19(23)20(3)9-4-10-20;1-2/h5-8,16H,4,9-15H2,1-3H3;1-2H3
InChIKeyGEKFTDYBZXCLRK-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.75
Rot. Bonds4

About ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone

ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone (PubChem CID 155710492) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Nameethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone
PubChem CID155710492
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC Nameethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone
SMILESCC.CC(C)Cc1ccc(N2CCN(C(=O)C3(C)CCC3)CC2)cc1
InChIInChI=1S/C20H30N2O.C2H6/c1-16(2)15-17-5-7-18(8-6-17)21-11-13-22(14-12-21)19(23)20(3)9-4-10-20;1-2/h5-8,16H,4,9-15H2,1-3H3;1-2H3
InChIKeyGEKFTDYBZXCLRK-UHFFFAOYSA-N
XLogP4.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971218
1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 108971255
3-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]propane-1-sulfonic acid
CID 19848653
1-adamantyl-[4-(4-ethylphenyl)piperazin-1-yl]methanone
CID 2957139
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
CID 55689729
4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104075
[4-(2-bromoethyl)piperazin-1-yl]-(1-methylcyclopentyl)methanone
CID 80660920
3-[4-(4-acetylpiperazin-1-yl)phenyl]-2-(carboxyamino)propanoic acid
CID 170451593
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891
1-[4-(4-ethylphenyl)-1,4-diazepan-1-yl]ethanone
CID 70827633
[1-[4-(4-fluorophenyl)piperazine-1-carbonyl]cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 108973934
1-[4-(2-methylpropyl)phenyl]sulfonyl-4-(4-nitrophenyl)piperazine
CID 2942834

Frequently Asked Questions

What is the IUPAC name of ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone (CID 155710492) is ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone is CC.CC(C)Cc1ccc(N2CCN(C(=O)C3(C)CCC3)CC2)cc1.
What is the InChIKey of ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is GEKFTDYBZXCLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O.C2H6/c1-16(2)15-17-5-7-18(8-6-17)21-11-13-22(14-12-21)19(23)20(3)9-4-10-20;1-2/h5-8,16H,4,9-15H2,1-3H3;1-2H3.
What are the key properties of ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone?
ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 344.54 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methylcyclobutyl)-[4-[4-(2-methylpropyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 155710492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).