N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide

C21H27N3O — CID 109007147

IUPACN-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
SMILESCc1ccccc1NC(=O)CNc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-16-11-13-24(14-12-16)19-9-7-18(8-10-19)22-15-21(25)23-20-6-4-3-5-17(20)2/h3-10,16,22H,11-15H2,1-2H3,(H,23,25)
InChIKeyMQQIIAHAHOTODY-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.28
Rot. Bonds5

About N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide

N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide (PubChem CID 109007147) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
PubChem CID109007147
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
SMILESCc1ccccc1NC(=O)CNc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C21H27N3O/c1-16-11-13-24(14-12-16)19-9-7-18(8-10-19)22-15-21(25)23-20-6-4-3-5-17(20)2/h3-10,16,22H,11-15H2,1-2H3,(H,23,25)
InChIKeyMQQIIAHAHOTODY-UHFFFAOYSA-N
XLogP4.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.28
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

2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007619
N-(2,4-dichlorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109010555
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109009876
2-[4-(4-methylpiperidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009809
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109035126
ethyl 4-[[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]amino]benzoate
CID 109010573
N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008236
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)aniline
CID 83949753
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
N-(2-tert-butylphenyl)-2-[4-(4-methylpiperazin-1-yl)anilino]acetamide
CID 109008238
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(2-phenylethylamino)acetamide
CID 108999945

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide (CID 109007147) is N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide is Cc1ccccc1NC(=O)CNc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
The InChIKey is MQQIIAHAHOTODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-16-11-13-24(14-12-16)19-9-7-18(8-10-19)22-15-21(25)23-20-6-4-3-5-17(20)2/h3-10,16,22H,11-15H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide?
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide has a molecular weight of 337.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide is sourced from PubChem (CID 109007147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).