(2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide

C23H29ClN2O3 — CID 35345326

IUPAC(2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
SMILESCOc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)N2CCCCC2)cc1
InChIInChI=1S/C23H29ClN2O3/c1-17(29-22-9-5-4-8-20(22)24)23(27)25-16-21(26-14-6-3-7-15-26)18-10-12-19(28-2)13-11-18/h4-5,8-13,17,21H,3,6-7,14-16H2,1-2H3,(H,25,27)/t17-,21-/m1/s1
InChIKeyCJDZOPPWEQIDQE-DYESRHJHSA-N
MW416.95 g/mol
LogP4.46
Rot. Bonds8

About (2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide

(2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide (PubChem CID 35345326) has the molecular formula C23H29ClN2O3 and a molecular weight of 416.95 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
PubChem CID35345326
Molecular FormulaC23H29ClN2O3
Molecular Weight416.95 g/mol
Exact Mass416.19
IUPAC Name(2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
SMILESCOc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)N2CCCCC2)cc1
InChIInChI=1S/C23H29ClN2O3/c1-17(29-22-9-5-4-8-20(22)24)23(27)25-16-21(26-14-6-3-7-15-26)18-10-12-19(28-2)13-11-18/h4-5,8-13,17,21H,3,6-7,14-16H2,1-2H3,(H,25,27)/t17-,21-/m1/s1
InChIKeyCJDZOPPWEQIDQE-DYESRHJHSA-N
XLogP4.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.95
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-fluorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31140460
(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 35341970
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrochloride
CID 52984972
(2S)-2-(2-chlorophenoxy)-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
CID 52515023
2,3-dichloro-N-[1-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-1-oxopropan-2-yl]benzamide
CID 55740277
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-methyl-3-phenylpropanamide;dihydrochloride
CID 119829693
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 18111373
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
2-(2-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 86976076
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The IUPAC name of (2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide (CID 35345326) is (2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide is COc1ccc([C@@H](CNC(=O)[C@@H](C)Oc2ccccc2Cl)N2CCCCC2)cc1.
What is the InChIKey of (2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
The InChIKey is CJDZOPPWEQIDQE-DYESRHJHSA-N. The full InChI is InChI=1S/C23H29ClN2O3/c1-17(29-22-9-5-4-8-20(22)24)23(27)25-16-21(26-14-6-3-7-15-26)18-10-12-19(28-2)13-11-18/h4-5,8-13,17,21H,3,6-7,14-16H2,1-2H3,(H,25,27)/t17-,21-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?
(2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide has a molecular weight of 416.95 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide is sourced from PubChem (CID 35345326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).