1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione

C20H30N2O2 — CID 120819501

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione
SMILESCCCc1ccc(C(=O)CCC(=O)N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C20H30N2O2/c1-4-5-15-6-8-16(9-7-15)17(23)10-11-19(24)22-13-12-18(21)20(2,3)14-22/h6-9,18H,4-5,10-14,21H2,1-3H3
InChIKeyCYUYOYYFOGZNNN-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.19
Rot. Bonds6

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione

1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione (PubChem CID 120819501) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione
PubChem CID120819501
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione
SMILESCCCc1ccc(C(=O)CCC(=O)N2CCC(N)C(C)(C)C2)cc1
InChIInChI=1S/C20H30N2O2/c1-4-5-15-6-8-16(9-7-15)17(23)10-11-19(24)22-13-12-18(21)20(2,3)14-22/h6-9,18H,4-5,10-14,21H2,1-3H3
InChIKeyCYUYOYYFOGZNNN-UHFFFAOYSA-N
XLogP3.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-phenylbutane-1,4-dione
CID 120816946
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-4-(4-propylphenyl)butane-1,4-dione;hydrochloride
CID 120809468
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione;hydrochloride
CID 120818650
1-(4-amino-3,3-dimethylpiperidin-1-yl)-5-(4-methoxyphenyl)pentane-1,5-dione;hydrochloride
CID 120818369
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(4-pentylphenyl)butane-1,4-dione
CID 119412248
1-[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-4-(4-propylphenyl)butane-1,4-dione
CID 95158971
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 120818633
1-(3-aminopiperidin-1-yl)-4-(4-pentylphenyl)butane-1,4-dione;hydrochloride
CID 119380450
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(2-bromophenyl)propan-1-one
CID 115276695
1-[4-oxo-4-(4-pentylphenyl)butanoyl]pyrrolidine-3-carboxylic acid
CID 119354317
1-[4-(4-ethylphenyl)-4-oxobutanoyl]piperidine-4-carboxylic acid
CID 119349834

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione (CID 120819501) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione is CCCc1ccc(C(=O)CCC(=O)N2CCC(N)C(C)(C)C2)cc1.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione?
The InChIKey is CYUYOYYFOGZNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-4-5-15-6-8-16(9-7-15)17(23)10-11-19(24)22-13-12-18(21)20(2,3)14-22/h6-9,18H,4-5,10-14,21H2,1-3H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione has a molecular weight of 330.47 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(4-propylphenyl)butane-1,4-dione is sourced from PubChem (CID 120819501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).