2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide

C19H28N2O3 — CID 110819560

IUPAC2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
SMILESCCCCC(=O)N1CCC(NC(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-4-8-19(23)21-11-9-16(10-12-21)20-18(22)14-24-17-7-5-6-15(2)13-17/h5-7,13,16H,3-4,8-12,14H2,1-2H3,(H,20,22)
InChIKeyZVQJSWBEAXPQIC-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.67
Rot. Bonds7

About 2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide

2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide (PubChem CID 110819560) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
PubChem CID110819560
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
SMILESCCCCC(=O)N1CCC(NC(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C19H28N2O3/c1-3-4-8-19(23)21-11-9-16(10-12-21)20-18(22)14-24-17-7-5-6-15(2)13-17/h5-7,13,16H,3-4,8-12,14H2,1-2H3,(H,20,22)
InChIKeyZVQJSWBEAXPQIC-UHFFFAOYSA-N
XLogP2.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 110822925
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
3-(3-methylphenyl)-N-(1-pentanoylpiperidin-4-yl)propanamide
CID 110819545
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 49348967
ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 112977740
1-[4-(methylamino)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119561175
N-[1-(4-chlorobutanoyl)piperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562203
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108553005
2-phenoxy-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108555833
ethyl 4-[[2-(3-bromophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 9012567
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide (CID 110819560) is 2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide is CCCCC(=O)N1CCC(NC(=O)COc2cccc(C)c2)CC1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide?
The InChIKey is ZVQJSWBEAXPQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-4-8-19(23)21-11-9-16(10-12-21)20-18(22)14-24-17-7-5-6-15(2)13-17/h5-7,13,16H,3-4,8-12,14H2,1-2H3,(H,20,22).
What are the key properties of 2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide?
2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide is sourced from PubChem (CID 110819560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).