N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide

C23H30N2O3 — CID 46054931

IUPACN-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
SMILESCCC(=O)N(c1cccc(C)c1)C1CCN(Cc2cccc(OC)c2O)CC1
InChIInChI=1S/C23H30N2O3/c1-4-22(26)25(20-9-5-7-17(2)15-20)19-11-13-24(14-12-19)16-18-8-6-10-21(28-3)23(18)27/h5-10,15,19,27H,4,11-14,16H2,1-3H3
InChIKeyWYHKBBZDGMGWIF-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.12
Rot. Bonds6

About N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide

N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide (PubChem CID 46054931) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
PubChem CID46054931
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC NameN-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide
SMILESCCC(=O)N(c1cccc(C)c1)C1CCN(Cc2cccc(OC)c2O)CC1
InChIInChI=1S/C23H30N2O3/c1-4-22(26)25(20-9-5-7-17(2)15-20)19-11-13-24(14-12-19)16-18-8-6-10-21(28-3)23(18)27/h5-10,15,19,27H,4,11-14,16H2,1-3H3
InChIKeyWYHKBBZDGMGWIF-UHFFFAOYSA-N
XLogP4.12
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)thiophene-2-carboxamide
CID 46161824
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46048230
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)acetamide
CID 46159081
1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 3884860
2-methoxy-6-[(4-methylpiperidin-1-yl)methyl]phenol;oxalic acid
CID 163328183
2-fluoro-N-(4-fluorophenyl)-N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46055071
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)butanamide
CID 42858130
N-[1-[2-(2,6-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 165361588
2-methoxy-6-[(4-propylpiperidin-1-yl)methyl]phenol
CID 82979967
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047940
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)butanamide
CID 46048250

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide (CID 46054931) is N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide is CCC(=O)N(c1cccc(C)c1)C1CCN(Cc2cccc(OC)c2O)CC1.
What is the InChIKey of N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is WYHKBBZDGMGWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-4-22(26)25(20-9-5-7-17(2)15-20)19-11-13-24(14-12-19)16-18-8-6-10-21(28-3)23(18)27/h5-10,15,19,27H,4,11-14,16H2,1-3H3.
What are the key properties of N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide?
N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 382.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 46054931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).