1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C24H38N2O — CID 176622241

IUPAC1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(CN2CC(c3ccc(C(C)(C)C)cc3)C2)CC1
InChIInChI=1S/C24H38N2O/c1-23(2,3)21-9-7-19(8-10-21)20-16-25(17-20)15-18-11-13-26(14-12-18)22(27)24(4,5)6/h7-10,18,20H,11-17H2,1-6H3
InChIKeyKEKAUWWOSSNHKW-UHFFFAOYSA-N
MW370.58 g/mol
LogP4.67
Rot. Bonds3

About 1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 176622241) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID176622241
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(CN2CC(c3ccc(C(C)(C)C)cc3)C2)CC1
InChIInChI=1S/C24H38N2O/c1-23(2,3)21-9-7-19(8-10-21)20-16-25(17-20)15-18-11-13-26(14-12-18)22(27)24(4,5)6/h7-10,18,20H,11-17H2,1-6H3
InChIKeyKEKAUWWOSSNHKW-UHFFFAOYSA-N
XLogP4.67
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.58
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[4-[[1-(4-tert-butylphenyl)piperidin-4-yl]methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 176622251
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
tert-butyl 3-(4-tert-butylphenyl)pyrrolidine-1-carboxylate
CID 169495150
2-bromo-2-methyl-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 114328312
1-[3-(4-tert-butylphenyl)azetidin-1-yl]-2-methoxyethanone
CID 69029834
1-[4-[[3-fluoro-4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 165372738
1-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 142714451
(4-tert-butylphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 159043850
1-[3-(4-fluorophenyl)azepan-1-yl]-2,2-dimethylpropan-1-one
CID 90608728
1-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 90493183
4-(4-tert-butylphenyl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110353819
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetaldehyde
CID 89354999

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 176622241) is 1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(CN2CC(c3ccc(C(C)(C)C)cc3)C2)CC1.
What is the InChIKey of 1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KEKAUWWOSSNHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-23(2,3)21-9-7-19(8-10-21)20-16-25(17-20)15-18-11-13-26(14-12-18)22(27)24(4,5)6/h7-10,18,20H,11-17H2,1-6H3.
What are the key properties of 1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 370.58 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-tert-butylphenyl)azetidin-1-yl]methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 176622241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).