2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide

C16H23ClN2O2 — CID 25236104

IUPAC2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-15(21-14-6-4-5-12(17)11-14)16(20)18-13-7-9-19(2)10-8-13/h4-6,11,13,15H,3,7-10H2,1-2H3,(H,18,20)
InChIKeyIJUJRCUKDSWSBE-UHFFFAOYSA-N
MW310.82 g/mol
LogP2.71
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide

2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide (PubChem CID 25236104) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
PubChem CID25236104
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NC1CCN(C)CC1
InChIInChI=1S/C16H23ClN2O2/c1-3-15(21-14-6-4-5-12(17)11-14)16(20)18-13-7-9-19(2)10-8-13/h4-6,11,13,15H,3,7-10H2,1-2H3,(H,18,20)
InChIKeyIJUJRCUKDSWSBE-UHFFFAOYSA-N
XLogP2.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 27234131
(2S)-2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 95119203
(2S)-2-(4-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27233651
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
(2S)-2-(3,5-dimethylphenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 99133321
(2R)-2-(4-bromophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 27232899
(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 28564718
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286385
(2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide
CID 7346204
2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 25236012
2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 132760616

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide (CID 25236104) is 2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NC1CCN(C)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
The InChIKey is IJUJRCUKDSWSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2/c1-3-15(21-14-6-4-5-12(17)11-14)16(20)18-13-7-9-19(2)10-8-13/h4-6,11,13,15H,3,7-10H2,1-2H3,(H,18,20).
What are the key properties of 2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide?
2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide has a molecular weight of 310.82 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide is sourced from PubChem (CID 25236104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).