3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide

C22H29N3O3 — CID 113132124

IUPAC3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-17-9-12-24(13-10-17)19-5-7-20(8-6-19)25(18(2)26)14-11-22(27)23-16-21-4-3-15-28-21/h3-8,15,17H,9-14,16H2,1-2H3,(H,23,27)
InChIKeyBGPQLTGIJBUZNK-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.58
Rot. Bonds7

About 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide

3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 113132124) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide
PubChem CID113132124
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide
SMILESCC(=O)N(CCC(=O)NCc1ccco1)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C22H29N3O3/c1-17-9-12-24(13-10-17)19-5-7-20(8-6-19)25(18(2)26)14-11-22(27)23-16-21-4-3-15-28-21/h3-8,15,17H,9-14,16H2,1-2H3,(H,23,27)
InChIKeyBGPQLTGIJBUZNK-UHFFFAOYSA-N
XLogP3.58
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.58
H-Bond Donors ≤ 51
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

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]furan-2-carboxamide
CID 113062422
3-(N-acetyl-3,4-dimethylanilino)-N-(furan-2-ylmethyl)propanamide
CID 113124484
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(2-fluorophenyl)propanamide
CID 113132144
N-[4-(4-methylpiperidin-1-yl)phenyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113132119
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide
CID 113062414
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(furan-2-ylmethyl)propanamide
CID 113133120
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113131951
N-(furan-2-ylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949682
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438
3-[3-amino-4-(4-methylpiperidin-1-yl)phenyl]-N-(furan-2-ylmethyl)propanamide
CID 39112783
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
CID 113062418

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide (CID 113132124) is 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide is CC(=O)N(CCC(=O)NCc1ccco1)c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is BGPQLTGIJBUZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-17-9-12-24(13-10-17)19-5-7-20(8-6-19)25(18(2)26)14-11-22(27)23-16-21-4-3-15-28-21/h3-8,15,17H,9-14,16H2,1-2H3,(H,23,27).
What are the key properties of 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide?
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 383.49 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 113132124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).