[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride

C20H24ClN3O4 — CID 66988562

IUPAC[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
SMILESCl.O=C([C@H](Cc1ccccc1)N(Cc1ccncc1)C(=O)O)N1CCOCC1
InChIInChI=1S/C20H23N3O4.ClH/c24-19(22-10-12-27-13-11-22)18(14-16-4-2-1-3-5-16)23(20(25)26)15-17-6-8-21-9-7-17;/h1-9,18H,10-15H2,(H,25,26);1H/t18-;/m0./s1
InChIKeySLZXUDYJGWUZCE-FERBBOLQSA-N
MW405.88 g/mol
LogP2.45
Rot. Bonds6

About [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride

[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride (PubChem CID 66988562) has the molecular formula C20H24ClN3O4 and a molecular weight of 405.88 g/mol. Its IUPAC name is [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Name[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
PubChem CID66988562
Molecular FormulaC20H24ClN3O4
Molecular Weight405.88 g/mol
Exact Mass405.15
IUPAC Name[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
SMILESCl.O=C([C@H](Cc1ccccc1)N(Cc1ccncc1)C(=O)O)N1CCOCC1
InChIInChI=1S/C20H23N3O4.ClH/c24-19(22-10-12-27-13-11-22)18(14-16-4-2-1-3-5-16)23(20(25)26)15-17-6-8-21-9-7-17;/h1-9,18H,10-15H2,(H,25,26);1H/t18-;/m0./s1
InChIKeySLZXUDYJGWUZCE-FERBBOLQSA-N
XLogP2.45
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride with MolForge

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Related Compounds

4-bromo-N-[(4-tert-butylphenyl)methyl]-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)benzamide
CID 4001654
[(2S)-1-[methyl(propan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride
CID 66988425
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
(2R)-2-(dimethylamino)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-3-phenylpropanamide
CID 95302963
2-amino-1-(1,4-oxazepan-4-yl)-3-phenylpropan-1-one;hydrochloride
CID 119295495
(2S,3R,6S)-2,6-dibenzyl-3-methyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione
CID 70026990
2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214013
(2S)-2-[[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]amino]propanoic acid
CID 15172733
N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 110347212
N-cyclopentyl-N-(pyridin-4-ylmethyl)morpholine-4-carboxamide
CID 3789130
2-[2-aminoethyl(benzyl)amino]-1-morpholin-4-ylpropan-1-one
CID 61015072
N-benzyl-N-[1-(4-benzylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 91142852

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride?
The IUPAC name of [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride (CID 66988562) is [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride.
What is the SMILES notation for [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride?
The canonical SMILES for [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride is Cl.O=C([C@H](Cc1ccccc1)N(Cc1ccncc1)C(=O)O)N1CCOCC1.
What is the InChIKey of [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride?
The InChIKey is SLZXUDYJGWUZCE-FERBBOLQSA-N. The full InChI is InChI=1S/C20H23N3O4.ClH/c24-19(22-10-12-27-13-11-22)18(14-16-4-2-1-3-5-16)23(20(25)26)15-17-6-8-21-9-7-17;/h1-9,18H,10-15H2,(H,25,26);1H/t18-;/m0./s1.
What are the key properties of [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride?
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride has a molecular weight of 405.88 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]-(pyridin-4-ylmethyl)carbamic acid;hydrochloride is sourced from PubChem (CID 66988562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).