N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide

C22H29N3O2 — CID 109039631

IUPACN-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-17-12-15-25(16-13-17)20-7-3-18(4-8-20)23-14-11-22(26)24-19-5-9-21(27-2)10-6-19/h3-10,17,23H,11-16H2,1-2H3,(H,24,26)
InChIKeyRQQGUADRJZGXDA-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.37
Rot. Bonds7

About N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide

N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide (PubChem CID 109039631) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
PubChem CID109039631
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
SMILESCOc1ccc(NC(=O)CCNc2ccc(N3CCC(C)CC3)cc2)cc1
InChIInChI=1S/C22H29N3O2/c1-17-12-15-25(16-13-17)20-7-3-18(4-8-20)23-14-11-22(26)24-19-5-9-21(27-2)10-6-19/h3-10,17,23H,11-16H2,1-2H3,(H,24,26)
InChIKeyRQQGUADRJZGXDA-UHFFFAOYSA-N
XLogP4.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.37
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'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
2-[2-(4-methoxyphenoxy)ethylamino]-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109005273
methyl 3-[[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]amino]benzoate
CID 109041431
methyl 2-[[3-[4-(4-methylpiperidin-1-yl)anilino]-3-oxopropyl]amino]benzoate
CID 109041342
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-(4-acetamidophenyl)-3-(4-methoxyanilino)propanamide
CID 109039685
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 16601007
N-(2,4-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109035126
4-(2,4-dimethoxyphenyl)-4-hydroxy-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
CID 84555255
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-[2-(2-methoxyphenyl)ethyl]-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 109025321
3-(4-piperidin-1-ylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109040218

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide (CID 109039631) is N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide is COc1ccc(NC(=O)CCNc2ccc(N3CCC(C)CC3)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
The InChIKey is RQQGUADRJZGXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-17-12-15-25(16-13-17)20-7-3-18(4-8-20)23-14-11-22(26)24-19-5-9-21(27-2)10-6-19/h3-10,17,23H,11-16H2,1-2H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide?
N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide has a molecular weight of 367.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-[4-(4-methylpiperidin-1-yl)anilino]propanamide is sourced from PubChem (CID 109039631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).