N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide

C20H31N3O2 — CID 113062414

IUPACN-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-15(2)20(25)21-11-14-23(17(4)24)19-7-5-18(6-8-19)22-12-9-16(3)10-13-22/h5-8,15-16H,9-14H2,1-4H3,(H,21,25)
InChIKeyAOZJVYOYRGRUPV-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.05
Rot. Bonds6

About N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide

N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide (PubChem CID 113062414) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide
PubChem CID113062414
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC NameN-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide
SMILESCC(=O)N(CCNC(=O)C(C)C)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H31N3O2/c1-15(2)20(25)21-11-14-23(17(4)24)19-7-5-18(6-8-19)22-12-9-16(3)10-13-22/h5-8,15-16H,9-14H2,1-4H3,(H,21,25)
InChIKeyAOZJVYOYRGRUPV-UHFFFAOYSA-N
XLogP3.05
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.05
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-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
CID 113062418
tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate
CID 113062437
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113132121
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]thiophene-2-carboxamide
CID 113062423
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]furan-2-carboxamide
CID 113062422
2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)acetamide
CID 113177196
N-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132119
N-[4-(4-methylpiperazin-1-yl)phenyl]-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113062524
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113062300
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113132124
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide
CID 113132144

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide (CID 113062414) is N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide is CC(=O)N(CCNC(=O)C(C)C)c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide?
The InChIKey is AOZJVYOYRGRUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-15(2)20(25)21-11-14-23(17(4)24)19-7-5-18(6-8-19)22-12-9-16(3)10-13-22/h5-8,15-16H,9-14H2,1-4H3,(H,21,25).
What are the key properties of N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide?
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide has a molecular weight of 345.49 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 113062414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).