(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide

C18H20ClN3O2 — CID 95303634

IUPAC(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
SMILESC[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccncc1
InChIInChI=1S/C18H20ClN3O2/c1-13(14-6-8-20-9-7-14)21-18(23)22-10-11-24-17(12-22)15-4-2-3-5-16(15)19/h2-9,13,17H,10-12H2,1H3,(H,21,23)/t13-,17-/m1/s1
InChIKeyOSAHZYXHEDXYHV-CXAGYDPISA-N
MW345.83 g/mol
LogP3.58
Rot. Bonds3

About (2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide

(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide (PubChem CID 95303634) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
PubChem CID95303634
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
SMILESC[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccncc1
InChIInChI=1S/C18H20ClN3O2/c1-13(14-6-8-20-9-7-14)21-18(23)22-10-11-24-17(12-22)15-4-2-3-5-16(15)19/h2-9,13,17H,10-12H2,1H3,(H,21,23)/t13-,17-/m1/s1
InChIKeyOSAHZYXHEDXYHV-CXAGYDPISA-N
XLogP3.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
(2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide
CID 97186019
3-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]-2-methylbutan-1-one;hydrochloride
CID 120500448
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 95326549
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]propanoic acid
CID 125152344
[(2S)-2-(2-chlorophenyl)morpholin-4-yl]-(4-chloro-2-pyridinyl)methanone
CID 95296582
(2S)-2-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-N-(methylcarbamoyl)propanamide
CID 95317625
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 124695340
4-(N-methylanilino)-N-(1-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 71924374
(2R)-2-(2-chlorophenyl)-4-(2-pyridin-4-ylethyl)morpholine
CID 95304386

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide (CID 95303634) is (2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide is C[C@@H](NC(=O)N1CCO[C@@H](c2ccccc2Cl)C1)c1ccncc1.
What is the InChIKey of (2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide?
The InChIKey is OSAHZYXHEDXYHV-CXAGYDPISA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13(14-6-8-20-9-7-14)21-18(23)22-10-11-24-17(12-22)15-4-2-3-5-16(15)19/h2-9,13,17H,10-12H2,1H3,(H,21,23)/t13-,17-/m1/s1.
What are the key properties of (2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide?
(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide is sourced from PubChem (CID 95303634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).