2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide

C16H21ClN2O3 — CID 71863347

IUPAC2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C16H21ClN2O3/c1-3-13(22-14-7-5-4-6-12(14)17)16(21)18-11-8-9-15(20)19(2)10-11/h4-7,11,13H,3,8-10H2,1-2H3,(H,18,21)
InChIKeyXDZZNKHWGDWVBZ-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.23
Rot. Bonds5

About 2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide

2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide (PubChem CID 71863347) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
PubChem CID71863347
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide
SMILESCCC(Oc1ccccc1Cl)C(=O)NC1CCC(=O)N(C)C1
InChIInChI=1S/C16H21ClN2O3/c1-3-13(22-14-7-5-4-6-12(14)17)16(21)18-11-8-9-15(20)19(2)10-11/h4-7,11,13H,3,8-10H2,1-2H3,(H,18,21)
InChIKeyXDZZNKHWGDWVBZ-UHFFFAOYSA-N
XLogP2.23
TPSA58.64 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 ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120674776
2-(2-chlorophenoxy)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389291
cis-(1R,3S)-3-[2-(2-chlorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120677226
2-(2-chlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120597947
2-(2-chlorophenoxy)-N-(cyclohexylmethyl)butanamide
CID 133239958
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
(2S)-2-(2-chlorophenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 99950957
2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562993
(2S)-N-cyclopropyl-2-(2-methoxyphenoxy)butanamide
CID 9172668
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
2-(2-chlorophenoxy)-N-(2-propan-2-yloxyphenyl)butanamide
CID 53284308
2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286385

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide (CID 71863347) is 2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide is CCC(Oc1ccccc1Cl)C(=O)NC1CCC(=O)N(C)C1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide?
The InChIKey is XDZZNKHWGDWVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-3-13(22-14-7-5-4-6-12(14)17)16(21)18-11-8-9-15(20)19(2)10-11/h4-7,11,13H,3,8-10H2,1-2H3,(H,18,21).
What are the key properties of 2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide?
2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide has a molecular weight of 324.81 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(1-methyl-6-oxopiperidin-3-yl)butanamide is sourced from PubChem (CID 71863347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).