cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone

C19H29N3O — CID 113078868

IUPACcyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C19H29N3O/c1-3-20(4-2)17-8-10-18(11-9-17)21-12-14-22(15-13-21)19(23)16-6-5-7-16/h8-11,16H,3-7,12-15H2,1-2H3
InChIKeyBTGDZZIKORTAPH-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.98
Rot. Bonds5

About cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone

cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone (PubChem CID 113078868) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
PubChem CID113078868
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Namecyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C19H29N3O/c1-3-20(4-2)17-8-10-18(11-9-17)21-12-14-22(15-13-21)19(23)16-6-5-7-16/h8-11,16H,3-7,12-15H2,1-2H3
InChIKeyBTGDZZIKORTAPH-UHFFFAOYSA-N
XLogP2.98
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
cyclohexyl-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078713
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]pentan-1-one
CID 113078817
cyclohexyl-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 78777393
(2-chlorophenyl)-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone
CID 113078848
N-[4-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]cyclobutanecarboxamide
CID 1055992
[4-(diethylamino)phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 9159073
1-[4-[4-(diethylamino)phenyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113078845
[4-[4-(diethylamino)phenyl]piperazin-1-yl]-(3-methylphenyl)methanone
CID 113078827
N-methyl-N-(4-pyrrolidin-1-ylphenyl)cyclobutanecarboxamide
CID 110753175
cyclobutyl-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033521

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone (CID 113078868) is cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone is CCN(CC)c1ccc(N2CCN(C(=O)C3CCC3)CC2)cc1.
What is the InChIKey of cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone?
The InChIKey is BTGDZZIKORTAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-20(4-2)17-8-10-18(11-9-17)21-12-14-22(15-13-21)19(23)16-6-5-7-16/h8-11,16H,3-7,12-15H2,1-2H3.
What are the key properties of cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone has a molecular weight of 315.46 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[4-(diethylamino)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 113078868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).