4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one

C14H18N2O2 — CID 112534602

IUPAC4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one
SMILESCc1ccc(C(=O)N2CCC(N)CC2=O)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-9-3-4-12(10(2)7-9)14(18)16-6-5-11(15)8-13(16)17/h3-4,7,11H,5-6,8,15H2,1-2H3
InChIKeyZJKQKKJONPBIDP-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.39
Rot. Bonds1

About 4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one

4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one (PubChem CID 112534602) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one
PubChem CID112534602
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one
SMILESCc1ccc(C(=O)N2CCC(N)CC2=O)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-9-3-4-12(10(2)7-9)14(18)16-6-5-11(15)8-13(16)17/h3-4,7,11H,5-6,8,15H2,1-2H3
InChIKeyZJKQKKJONPBIDP-UHFFFAOYSA-N
XLogP1.39
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 55030892
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317
1-(2,4-dimethylbenzoyl)piperidin-4-one
CID 24709834
[4-[(1R)-1-aminoethyl]piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 98523636
(4-aminopiperidin-1-yl)-(4-chloro-2-methylphenyl)methanone
CID 114028051
(2,4-dimethylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 925313
(3-aminocyclobutyl)-(2,4-dimethylphenyl)methanone
CID 116917672
2-(4-aminopiperidin-1-yl)-5-methylbenzoic acid
CID 55082978
[2-(aminomethyl)azepan-1-yl]-(2,4-dimethylphenyl)methanone
CID 116639963
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
(2,4-dimethylphenyl)-(2,4-dimethylpiperazin-1-yl)methanone
CID 71877125
[4-(1-chloroethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 106838914

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one?
The IUPAC name of 4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one (CID 112534602) is 4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one.
What is the SMILES notation for 4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one?
The canonical SMILES for 4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one is Cc1ccc(C(=O)N2CCC(N)CC2=O)c(C)c1.
What is the InChIKey of 4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one?
The InChIKey is ZJKQKKJONPBIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-3-4-12(10(2)7-9)14(18)16-6-5-11(15)8-13(16)17/h3-4,7,11H,5-6,8,15H2,1-2H3.
What are the key properties of 4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one?
4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2,4-dimethylbenzoyl)piperidin-2-one is sourced from PubChem (CID 112534602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).