[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone

C23H28N2O — CID 110436569

IUPAC[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone
SMILESCc1cccc(N2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)c1C
InChIInChI=1S/C23H28N2O/c1-18-8-6-11-21(19(18)2)24-14-16-25(17-15-24)22(26)23(12-7-13-23)20-9-4-3-5-10-20/h3-6,8-11H,7,12-17H2,1-2H3
InChIKeyUUYGCAXRQUYJGW-UHFFFAOYSA-N
MW348.49 g/mol
LogP4.07
Rot. Bonds3

About [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone

[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone (PubChem CID 110436569) has the molecular formula C23H28N2O and a molecular weight of 348.49 g/mol. Its IUPAC name is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone.

Molecular Properties

Compound Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone
PubChem CID110436569
Molecular FormulaC23H28N2O
Molecular Weight348.49 g/mol
Exact Mass348.22
IUPAC Name[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone
SMILESCc1cccc(N2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)c1C
InChIInChI=1S/C23H28N2O/c1-18-8-6-11-21(19(18)2)24-14-16-25(17-15-24)22(26)23(12-7-13-23)20-9-4-3-5-10-20/h3-6,8-11H,7,12-17H2,1-2H3
InChIKeyUUYGCAXRQUYJGW-UHFFFAOYSA-N
XLogP4.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]cyclopropyl]methanone
CID 108978812
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
4-(2,3-dimethylphenyl)-N,N-diphenylpiperazine-1-carboxamide
CID 1305709
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N,N-dipropylcyclopropane-1-carboxamide
CID 108978811
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 53369928
1-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-propylcyclopropane-1-carboxamide
CID 108970254
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)cyclopropyl]methanone
CID 113198236
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 897293
3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 114897065

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone?
The IUPAC name of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone (CID 110436569) is [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone.
What is the SMILES notation for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone?
The canonical SMILES for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone is Cc1cccc(N2CCN(C(=O)C3(c4ccccc4)CCC3)CC2)c1C.
What is the InChIKey of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone?
The InChIKey is UUYGCAXRQUYJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O/c1-18-8-6-11-21(19(18)2)24-14-16-25(17-15-24)22(26)23(12-7-13-23)20-9-4-3-5-10-20/h3-6,8-11H,7,12-17H2,1-2H3.
What are the key properties of [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone?
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone has a molecular weight of 348.49 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dimethylphenyl)piperazin-1-yl]-(1-phenylcyclobutyl)methanone is sourced from PubChem (CID 110436569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).