1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone

C19H29N3O — CID 109006467

IUPAC1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone
SMILESCCC1CCCCN1C(=O)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H29N3O/c1-2-17-7-3-4-14-22(17)19(23)15-20-16-8-10-18(11-9-16)21-12-5-6-13-21/h8-11,17,20H,2-7,12-15H2,1H3
InChIKeyXTCGYTOZDIZEJZ-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.49
Rot. Bonds5

About 1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone

1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone (PubChem CID 109006467) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone
PubChem CID109006467
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone
SMILESCCC1CCCCN1C(=O)CNc1ccc(N2CCCC2)cc1
InChIInChI=1S/C19H29N3O/c1-2-17-7-3-4-14-22(17)19(23)15-20-16-8-10-18(11-9-16)21-12-5-6-13-21/h8-11,17,20H,2-7,12-15H2,1H3
InChIKeyXTCGYTOZDIZEJZ-UHFFFAOYSA-N
XLogP3.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone 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

2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108990903
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113177011
2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109140342
2-(2,3-dichloroanilino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109006495
1-(2-ethylpiperidin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propane-1,3-dione
CID 108952190
1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]ethanone
CID 87015598
[4-(ethylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 62168251
1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
CID 110649365
3-(4-ethoxyanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 109032650
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
(2-ethylpiperidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111331478

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone (CID 109006467) is 1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone is CCC1CCCCN1C(=O)CNc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone?
The InChIKey is XTCGYTOZDIZEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-17-7-3-4-14-22(17)19(23)15-20-16-8-10-18(11-9-16)21-12-5-6-13-21/h8-11,17,20H,2-7,12-15H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone?
1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone has a molecular weight of 315.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone is sourced from PubChem (CID 109006467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).