2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone

C18H29N3O — CID 108993776

IUPAC2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCN(CC)c1ccc(NCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-4-20(5-2)17-8-6-16(7-9-17)19-14-18(22)21-12-10-15(3)11-13-21/h6-9,15,19H,4-5,10-14H2,1-3H3
InChIKeyUXLPWKNFHQTGOV-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.20
Rot. Bonds6

About 2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 108993776) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID108993776
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCCN(CC)c1ccc(NCC(=O)N2CCC(C)CC2)cc1
InChIInChI=1S/C18H29N3O/c1-4-20(5-2)17-8-6-16(7-9-17)19-14-18(22)21-12-10-15(3)11-13-21/h6-9,15,19H,4-5,10-14H2,1-3H3
InChIKeyUXLPWKNFHQTGOV-UHFFFAOYSA-N
XLogP3.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
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

N-[4-(diethylamino)phenyl]-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504633
2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002161
N-[4-(diethylamino)phenyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113176828
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 4-(diethylamino)benzoate
CID 2387369
4-[[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-propylbenzamide
CID 54835990
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
2-[4-(2-ethoxyethoxy)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 54825440
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone
CID 108996192
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-[4-[acetyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]acetamide
CID 113175886
2-anilino-1-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103812443

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone (CID 108993776) is 2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone is CCN(CC)c1ccc(NCC(=O)N2CCC(C)CC2)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is UXLPWKNFHQTGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-4-20(5-2)17-8-6-16(7-9-17)19-14-18(22)21-12-10-15(3)11-13-21/h6-9,15,19H,4-5,10-14H2,1-3H3.
What are the key properties of 2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 303.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 108993776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).