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

C15H22N2O2 — CID 112553604

IUPACN-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2cccc(C)c2O)CC1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-13(15(11)19)10-17-8-6-14(7-9-17)16-12(2)18/h3-5,14,19H,6-10H2,1-2H3,(H,16,18)
InChIKeyIQWVKIARJMRORO-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.80
Rot. Bonds3

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

N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 112553604) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID112553604
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(Cc2cccc(C)c2O)CC1
InChIInChI=1S/C15H22N2O2/c1-11-4-3-5-13(15(11)19)10-17-8-6-14(7-9-17)16-12(2)18/h3-5,14,19H,6-10H2,1-2H3,(H,16,18)
InChIKeyIQWVKIARJMRORO-UHFFFAOYSA-N
XLogP1.80
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 112553393
2-acetamido-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]propanamide
CID 87020158
2-methyl-6-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]phenol
CID 115903837
N-[1-[[6-(hydrazinecarbonyl)-2-pyridinyl]methyl]piperidin-4-yl]acetamide
CID 106909367
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
2-methyl-6-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 112553363
4-(3-hydroxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide
CID 112835200
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 119043015
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-6-methylphenol
CID 112553679
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55973375
1-(2-ethyl-2-hydroxybutyl)-3-[1-[(2-methylphenyl)methyl]piperidin-4-yl]urea
CID 110910101
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide (CID 112553604) is N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(Cc2cccc(C)c2O)CC1.
What is the InChIKey of N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is IQWVKIARJMRORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-4-3-5-13(15(11)19)10-17-8-6-14(7-9-17)16-12(2)18/h3-5,14,19H,6-10H2,1-2H3,(H,16,18).
What are the key properties of N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide?
N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 262.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-hydroxy-3-methylphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 112553604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).