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N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride

C18H22ClN3O3 — CID 171710361

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
SMILESCl.O=C(Cn1ccccc1=O)N[C@@]1(c2ccccc2)CCNC[C@H]1O
InChIInChI=1S/C18H21N3O3.ClH/c22-15-12-19-10-9-18(15,14-6-2-1-3-7-14)20-16(23)13-21-11-5-4-8-17(21)24;/h1-8,11,15,19,22H,9-10,12-13H2,(H,20,23);1H/t15-,18-;/m1./s1
InChIKeyHRBQBZPSIYRTLC-KQKCUOLZSA-N
MW363.85 g/mol
LogP0.64
Rot. Bonds4

About N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride

N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride (PubChem CID 171710361) has the molecular formula C18H22ClN3O3 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
PubChem CID171710361
Molecular FormulaC18H22ClN3O3
Molecular Weight363.85 g/mol
Exact Mass363.13
IUPAC NameN-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride
SMILESCl.O=C(Cn1ccccc1=O)N[C@@]1(c2ccccc2)CCNC[C@H]1O
InChIInChI=1S/C18H21N3O3.ClH/c22-15-12-19-10-9-18(15,14-6-2-1-3-7-14)20-16(23)13-21-11-5-4-8-17(21)24;/h1-8,11,15,19,22H,9-10,12-13H2,(H,20,23);1H/t15-,18-;/m1./s1
InChIKeyHRBQBZPSIYRTLC-KQKCUOLZSA-N
XLogP0.64
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride?
The IUPAC name of N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride (CID 171710361) is N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride?
The canonical SMILES for N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride is Cl.O=C(Cn1ccccc1=O)N[C@@]1(c2ccccc2)CCNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride?
The InChIKey is HRBQBZPSIYRTLC-KQKCUOLZSA-N. The full InChI is InChI=1S/C18H21N3O3.ClH/c22-15-12-19-10-9-18(15,14-6-2-1-3-7-14)20-16(23)13-21-11-5-4-8-17(21)24;/h1-8,11,15,19,22H,9-10,12-13H2,(H,20,23);1H/t15-,18-;/m1./s1.
What are the key properties of N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride?
N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride has a molecular weight of 363.85 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxy-4-phenylpiperidin-4-yl]-2-(2-oxo-1-pyridinyl)acetamide;hydrochloride is sourced from PubChem (CID 171710361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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