2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide

C16H21ClN2O3 — CID 91767042

IUPAC2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
SMILESCN(CCN1CCCCC1=O)C(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C16H21ClN2O3/c1-18(8-9-19-7-3-2-4-15(19)21)16(22)11-12-5-6-14(20)13(17)10-12/h5-6,10,20H,2-4,7-9,11H2,1H3
InChIKeyWHCXWNJBFTYZCX-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.06
Rot. Bonds5

About 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide

2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide (PubChem CID 91767042) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
PubChem CID91767042
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide
SMILESCN(CCN1CCCCC1=O)C(=O)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C16H21ClN2O3/c1-18(8-9-19-7-3-2-4-15(19)21)16(22)11-12-5-6-14(20)13(17)10-12/h5-6,10,20H,2-4,7-9,11H2,1H3
InChIKeyWHCXWNJBFTYZCX-UHFFFAOYSA-N
XLogP2.06
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-N-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 70421787
1-methyl-3-(naphthalen-2-ylmethyl)-1-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
CID 75475746
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]acetamide
CID 99974471
2-(3,4-dichlorophenyl)-N-methyl-N-[2-(2-pyrrolidin-1-ylphenyl)ethyl]acetamide;hydrochloride
CID 70422202
4-(ethylsulfonylamino)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 91842161
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-(quinolin-6-ylmethyl)acetamide
CID 86286582
N,2,6,8-tetramethyl-N-[2-(2-oxopiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 70708375
3-(4-fluoro-3-methoxyphenyl)-1-methyl-1-[2-(2-oxopiperidin-1-yl)ethyl]urea
CID 72899838
N-(furan-3-ylmethyl)-N-methyl-3-(2-oxoazepan-1-yl)propanamide
CID 131924744
1-[4-[1-(3-chloro-4-methylsulfonylphenyl)propan-2-yl-ethylamino]butyl]azepan-2-one
CID 69225330
2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202302
1-[2-[1-(4-chlorophenyl)propan-2-yl-ethylamino]ethyl]piperidin-2-one
CID 69221614

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide (CID 91767042) is 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide is CN(CCN1CCCCC1=O)C(=O)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide?
The InChIKey is WHCXWNJBFTYZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-18(8-9-19-7-3-2-4-15(19)21)16(22)11-12-5-6-14(20)13(17)10-12/h5-6,10,20H,2-4,7-9,11H2,1H3.
What are the key properties of 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide?
2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide has a molecular weight of 324.81 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxyphenyl)-N-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 91767042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).