N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide

C17H27N3O — CID 60647120

IUPACN-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14(2)12-19-17(21)13-18-15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9,14,18H,3-5,10-13H2,1-2H3,(H,19,21)
InChIKeyPWHSFWFJONUZQN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.86
Rot. Bonds6

About N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide

N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide (PubChem CID 60647120) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
PubChem CID60647120
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-14(2)12-19-17(21)13-18-15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9,14,18H,3-5,10-13H2,1-2H3,(H,19,21)
InChIKeyPWHSFWFJONUZQN-UHFFFAOYSA-N
XLogP2.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
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-(3-methylbutyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674409
N-[2-(dimethylamino)ethyl]-2-(4-piperidin-1-ylanilino)acetamide
CID 108994702
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403
2-(4-morpholin-4-ylanilino)-N-propan-2-ylacetamide
CID 60647079
1-(4-pyrrolidin-1-ylanilino)propan-2-ol
CID 63179506
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
methyl 2-methyl-3-(4-piperidin-1-ylanilino)propanoate
CID 63179793
1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108971320
2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674358
2-anilino-N-(2-piperidin-1-ylpropyl)acetamide
CID 61018467

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide (CID 60647120) is N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide is CC(C)CNC(=O)CNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide?
The InChIKey is PWHSFWFJONUZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(2)12-19-17(21)13-18-15-6-8-16(9-7-15)20-10-4-3-5-11-20/h6-9,14,18H,3-5,10-13H2,1-2H3,(H,19,21).
What are the key properties of N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide?
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 60647120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).