2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide

C19H27ClN2O4 — CID 108552764

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide
SMILESCOCCC(=O)N1CCC(NC(=O)COc2cc(C)c(Cl)c(C)c2)CC1
InChIInChI=1S/C19H27ClN2O4/c1-13-10-16(11-14(2)19(13)20)26-12-17(23)21-15-4-7-22(8-5-15)18(24)6-9-25-3/h10-11,15H,4-9,12H2,1-3H3,(H,21,23)
InChIKeyFHJYFOYWJKMDPZ-UHFFFAOYSA-N
MW382.89 g/mol
LogP2.48
Rot. Bonds7

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide (PubChem CID 108552764) has the molecular formula C19H27ClN2O4 and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide
PubChem CID108552764
Molecular FormulaC19H27ClN2O4
Molecular Weight382.89 g/mol
Exact Mass382.17
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide
SMILESCOCCC(=O)N1CCC(NC(=O)COc2cc(C)c(Cl)c(C)c2)CC1
InChIInChI=1S/C19H27ClN2O4/c1-13-10-16(11-14(2)19(13)20)26-12-17(23)21-15-4-7-22(8-5-15)18(24)6-9-25-3/h10-11,15H,4-9,12H2,1-3H3,(H,21,23)
InChIKeyFHJYFOYWJKMDPZ-UHFFFAOYSA-N
XLogP2.48
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108552751
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108555517
2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565024
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556384
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108552732
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(2-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552743
2-(3,4-dimethylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]acetamide
CID 108553005
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(thiophene-2-carbonyl)piperidin-4-yl]acetamide
CID 108552761
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554700
2-(4-chlorophenoxy)-N-[1-[2-(3,4-dimethylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108554325
N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108552999
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555353

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide (CID 108552764) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide is COCCC(=O)N1CCC(NC(=O)COc2cc(C)c(Cl)c(C)c2)CC1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide?
The InChIKey is FHJYFOYWJKMDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O4/c1-13-10-16(11-14(2)19(13)20)26-12-17(23)21-15-4-7-22(8-5-15)18(24)6-9-25-3/h10-11,15H,4-9,12H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide has a molecular weight of 382.89 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108552764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).