N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide

C17H28N4O — CID 108994702

IUPACN-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
SMILESCN(C)CCNC(=O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H28N4O/c1-20(2)13-10-18-17(22)14-19-15-6-8-16(9-7-15)21-11-4-3-5-12-21/h6-9,19H,3-5,10-14H2,1-2H3,(H,18,22)
InChIKeyKAIGMQMCZRZQIS-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.77
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide

N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide (PubChem CID 108994702) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
PubChem CID108994702
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
SMILESCN(C)CCNC(=O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H28N4O/c1-20(2)13-10-18-17(22)14-19-15-6-8-16(9-7-15)21-11-4-3-5-12-21/h6-9,19H,3-5,10-14H2,1-2H3,(H,18,22)
InChIKeyKAIGMQMCZRZQIS-UHFFFAOYSA-N
XLogP1.77
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
N-[3-(dimethylamino)propyl]-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109016988
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010337
N-(3-phenylpropyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109005175
N-[2-(2-fluorophenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 109000353
N-[2-(2-methoxyphenyl)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 37222450
2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674358
1-N-[2-(dimethylamino)ethyl]-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109053246
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892
N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109229226
3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104148

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide (CID 108994702) is N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide is CN(C)CCNC(=O)CNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
The InChIKey is KAIGMQMCZRZQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-20(2)13-10-18-17(22)14-19-15-6-8-16(9-7-15)21-11-4-3-5-12-21/h6-9,19H,3-5,10-14H2,1-2H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide?
N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide has a molecular weight of 304.44 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 108994702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).