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

C17H24N2O2 — CID 102736682

IUPACN-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13-3-5-16(6-4-13)17(21)12-19-9-7-15(8-10-19)11-18-14(2)20/h3-6,15H,7-12H2,1-2H3,(H,18,20)
InChIKeyJPPCOHHRCHILLY-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.03
Rot. Bonds5

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

N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide (PubChem CID 102736682) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide
PubChem CID102736682
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(CC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C17H24N2O2/c1-13-3-5-16(6-4-13)17(21)12-19-9-7-15(8-10-19)11-18-14(2)20/h3-6,15H,7-12H2,1-2H3,(H,18,20)
InChIKeyJPPCOHHRCHILLY-UHFFFAOYSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenacylpiperidin-4-yl)methyl]acetamide
CID 102736676
2-[4-(acetamidomethyl)piperidin-1-yl]-N-benzylacetamide
CID 60510811
ethane;1-(4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 156853457
tert-butyl N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771205
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
ethyl 4-[4-(acetamidomethyl)piperidin-1-yl]-3-oxobutanoate
CID 102736665
N-[[1-(3-methoxy-2-oxopropyl)piperidin-4-yl]methyl]acetamide
CID 107507575
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 61421640
1-[2-(4-methylphenyl)-2-oxoethyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 11810626
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 3328297
N-[(1-prop-2-enylpiperidin-4-yl)methyl]acetamide
CID 51116338
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)ethanone
CID 43797011

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide (CID 102736682) is N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(CC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is JPPCOHHRCHILLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-3-5-16(6-4-13)17(21)12-19-9-7-15(8-10-19)11-18-14(2)20/h3-6,15H,7-12H2,1-2H3,(H,18,20).
What are the key properties of N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 102736682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).