2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone

C17H26N2O — CID 86906131

IUPAC2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
SMILESCCCN(CC(=O)N1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-3-11-19(16-9-7-15(2)8-10-16)14-17(20)18-12-5-4-6-13-18/h7-10H,3-6,11-14H2,1-2H3
InChIKeyFMYRSQVEDJXSFI-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.22
Rot. Bonds5

About 2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone

2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone (PubChem CID 86906131) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
PubChem CID86906131
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone
SMILESCCCN(CC(=O)N1CCCCC1)c1ccc(C)cc1
InChIInChI=1S/C17H26N2O/c1-3-11-19(16-9-7-15(2)8-10-16)14-17(20)18-12-5-4-6-13-18/h7-10H,3-6,11-14H2,1-2H3
InChIKeyFMYRSQVEDJXSFI-UHFFFAOYSA-N
XLogP3.22
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-N-propylanilino)acetic acid
CID 19875097
1-(azepan-1-yl)-2-(N-ethylanilino)ethanone
CID 54808944
2-[4-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]anilino]-1-piperidin-1-ylethanone
CID 75433703
2-(2-amino-N-propylanilino)-1-piperidin-1-ylethanone
CID 63230718
N-(2-ethoxyphenyl)-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide
CID 86906090
N-[(5-chlorothiophen-2-yl)methyl]-2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetamide
CID 86937011
N-tert-butyl-2-[methyl-[2-(4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)anilino)acetyl]amino]acetamide
CID 86906125
2-(4-methyl-N-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]anilino)-1-piperidin-1-ylethanone
CID 86906124
2-(4-methyl-N-methylperoxysulfanylanilino)-1-piperidin-1-ylethanone
CID 88576022
N-ethyl-N-(4-methylphenyl)azepane-1-carboxamide
CID 116655376
2-(4-methyl-N-(2-morpholin-4-yl-2-oxoethyl)anilino)acetic acid
CID 46299967
3-bromo-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 86934196

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone (CID 86906131) is 2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone is CCCN(CC(=O)N1CCCCC1)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone?
The InChIKey is FMYRSQVEDJXSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-11-19(16-9-7-15(2)8-10-16)14-17(20)18-12-5-4-6-13-18/h7-10H,3-6,11-14H2,1-2H3.
What are the key properties of 2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone?
2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone has a molecular weight of 274.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-N-propylanilino)-1-piperidin-1-ylethanone is sourced from PubChem (CID 86906131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).