(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide

C17H25ClN2O2 — CID 27234131

IUPAC(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C17H25ClN2O2/c1-3-16(22-15-7-5-6-13(18)12-15)17(21)19-14-8-10-20(4-2)11-9-14/h5-7,12,14,16H,3-4,8-11H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyWNGIFUJJCFTMSL-INIZCTEOSA-N
MW324.85 g/mol
LogP3.10
Rot. Bonds6

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

(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide (PubChem CID 27234131) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
PubChem CID27234131
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)NC1CCN(CC)CC1
InChIInChI=1S/C17H25ClN2O2/c1-3-16(22-15-7-5-6-13(18)12-15)17(21)19-14-8-10-20(4-2)11-9-14/h5-7,12,14,16H,3-4,8-11H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeyWNGIFUJJCFTMSL-INIZCTEOSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 25236104
2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-4-yl)butanamide
CID 25236012
(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-ethylbutanamide
CID 99131342
2-(3-chlorophenoxy)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 55658570
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
(2R)-2-(3-chlorophenoxy)-N-morpholin-4-ylbutanamide
CID 7346204
(2R)-2-(3-chlorophenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]butanamide
CID 28564718
2-(3-chlorophenoxy)-N-(2-morpholin-4-ylethyl)butanamide
CID 132760616
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide (CID 27234131) is (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)NC1CCN(CC)CC1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide?
The InChIKey is WNGIFUJJCFTMSL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-3-16(22-15-7-5-6-13(18)12-15)17(21)19-14-8-10-20(4-2)11-9-14/h5-7,12,14,16H,3-4,8-11H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide?
(2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide has a molecular weight of 324.85 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-4-yl)butanamide is sourced from PubChem (CID 27234131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).