N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide

C19H28N2O3 — CID 108560809

IUPACN-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide
SMILESCCCC(=O)N1CCC(NC(=O)COc2cccc(C)c2C)CC1
InChIInChI=1S/C19H28N2O3/c1-4-6-19(23)21-11-9-16(10-12-21)20-18(22)13-24-17-8-5-7-14(2)15(17)3/h5,7-8,16H,4,6,9-13H2,1-3H3,(H,20,22)
InChIKeyHSYHPFWKUZDHQV-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.59
Rot. Bonds6

About N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide

N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide (PubChem CID 108560809) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide
PubChem CID108560809
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide
SMILESCCCC(=O)N1CCC(NC(=O)COc2cccc(C)c2C)CC1
InChIInChI=1S/C19H28N2O3/c1-4-6-19(23)21-11-9-16(10-12-21)20-18(22)13-24-17-8-5-7-14(2)15(17)3/h5,7-8,16H,4,6,9-13H2,1-3H3,(H,20,22)
InChIKeyHSYHPFWKUZDHQV-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552797
2-(2,3-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552814
2-(2,3-dimethylphenoxy)-N-(4-hydroxycyclohexyl)acetamide
CID 43389110
2-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565064
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(2,3-dimethylphenoxy)acetamide
CID 108552807
N-cyclopropyl-2-[4-[3-(2,3-dimethylphenoxy)propanoyl]piperazin-1-yl]acetamide
CID 47024315
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549210
2-chloroethyl N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108565062
4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550145
2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819560
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-(2-methylphenoxy)acetamide
CID 110819454
N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]butane-1-sulfonamide
CID 108565033

Frequently Asked Questions

What is the IUPAC name of N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide?
The IUPAC name of N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide (CID 108560809) is N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide?
The canonical SMILES for N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide is CCCC(=O)N1CCC(NC(=O)COc2cccc(C)c2C)CC1.
What is the InChIKey of N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide?
The InChIKey is HSYHPFWKUZDHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-6-19(23)21-11-9-16(10-12-21)20-18(22)13-24-17-8-5-7-14(2)15(17)3/h5,7-8,16H,4,6,9-13H2,1-3H3,(H,20,22).
What are the key properties of N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide?
N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butanoylpiperidin-4-yl)-2-(2,3-dimethylphenoxy)acetamide is sourced from PubChem (CID 108560809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).