3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one

C21H35N3O — CID 109032703

IUPAC3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCNc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C21H35N3O/c1-5-18-10-8-9-15-24(18)21(25)13-14-22-20-12-11-19(16-17(20)4)23(6-2)7-3/h11-12,16,18,22H,5-10,13-15H2,1-4H3
InChIKeyBCOBMDPTQDSJHT-UHFFFAOYSA-N
MW345.53 g/mol
LogP4.43
Rot. Bonds8

About 3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one

3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one (PubChem CID 109032703) has the molecular formula C21H35N3O and a molecular weight of 345.53 g/mol. Its IUPAC name is 3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one
PubChem CID109032703
Molecular FormulaC21H35N3O
Molecular Weight345.53 g/mol
Exact Mass345.28
IUPAC Name3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCNc1ccc(N(CC)CC)cc1C
InChIInChI=1S/C21H35N3O/c1-5-18-10-8-9-15-24(18)21(25)13-14-22-20-12-11-19(16-17(20)4)23(6-2)7-3/h11-12,16,18,22H,5-10,13-15H2,1-4H3
InChIKeyBCOBMDPTQDSJHT-UHFFFAOYSA-N
XLogP4.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one 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

ethyl 4-[3-[4-(diethylamino)-2-methylanilino]propanoyl]piperazine-1-carboxylate
CID 109029114
3-(2-ethyl-6-methylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032623
3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032650
N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113128682
4-N,4-N-diethyl-2-methyl-1-N-[(1-methylpyrrolidin-2-yl)methyl]benzene-1,4-diamine
CID 112720401
N-[4-(diethylamino)-2-methylphenyl]cyclohexanecarboxamide
CID 837088
1-(2-ethylpiperidin-1-yl)-3-[(4-methylphenyl)methylamino]propan-1-one
CID 109019962
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113124001
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
(2-ethylpiperidin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63210086
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 51192558
4-N,4-N-diethyl-1-N-[4-(2-ethylpiperidin-1-yl)pyrimidin-2-yl]-2-methylbenzene-1,4-diamine
CID 112900923

Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one (CID 109032703) is 3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one is CCC1CCCCN1C(=O)CCNc1ccc(N(CC)CC)cc1C.
What is the InChIKey of 3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is BCOBMDPTQDSJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O/c1-5-18-10-8-9-15-24(18)21(25)13-14-22-20-12-11-19(16-17(20)4)23(6-2)7-3/h11-12,16,18,22H,5-10,13-15H2,1-4H3.
What are the key properties of 3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one?
3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 345.53 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)-2-methylanilino]-1-(2-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 109032703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).