N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide

C17H24N2O3 — CID 110736170

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCC(=O)N1CCC(CNC(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13-3-5-16(6-4-13)22-12-17(21)18-11-15-7-9-19(10-8-15)14(2)20/h3-6,15H,7-12H2,1-2H3,(H,18,21)
InChIKeyQXINHIWVXCYFQU-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.75
Rot. Bonds5

About N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide

N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide (PubChem CID 110736170) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
PubChem CID110736170
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
SMILESCC(=O)N1CCC(CNC(=O)COc2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13-3-5-16(6-4-13)22-12-17(21)18-11-15-7-9-19(10-8-15)14(2)20/h3-6,15H,7-12H2,1-2H3,(H,18,21)
InChIKeyQXINHIWVXCYFQU-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 112810655
N-(cyclopropylmethyl)-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 24667225
2-(4-methylphenoxy)-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110291709
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 16895737
N-[(1-formylazetidin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 142513714
tert-butyl N-[2-[[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]methylamino]-2-oxoethyl]carbamate
CID 108916531
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 121109431
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 110736193
2-phenoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]acetamide
CID 16895414
N-(cyclobutylmethyl)-2-[4-(pyrrolidine-1-carbonyl)phenoxy]acetamide
CID 71932136
N-[(1-acetylpiperidin-4-yl)methyl]-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 136524002
tert-butyl N-[2-[4-[[[2-(4-ethoxyphenoxy)acetyl]amino]methyl]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916516

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide (CID 110736170) is N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide is CC(=O)N1CCC(CNC(=O)COc2ccc(C)cc2)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
The InChIKey is QXINHIWVXCYFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13-3-5-16(6-4-13)22-12-17(21)18-11-15-7-9-19(10-8-15)14(2)20/h3-6,15H,7-12H2,1-2H3,(H,18,21).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide?
N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide has a molecular weight of 304.39 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 110736170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).