N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride

C20H25ClN2O3 — CID 154897273

IUPACN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1OCc1ccccc1)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C20H24N2O3.ClH/c23-18-13-21-11-10-17(18)22-20(24)12-16-8-4-5-9-19(16)25-14-15-6-2-1-3-7-15;/h1-9,17-18,21,23H,10-14H2,(H,22,24);1H/t17-,18-;/m1./s1
InChIKeyXXNKDEXFZPZLLL-JAXOOIEVSA-N
MW376.88 g/mol
LogP2.07
Rot. Bonds6

About N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride

N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride (PubChem CID 154897273) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride
PubChem CID154897273
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC NameN-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccccc1OCc1ccccc1)N[C@@H]1CCNC[C@H]1O
InChIInChI=1S/C20H24N2O3.ClH/c23-18-13-21-11-10-17(18)22-20(24)12-16-8-4-5-9-19(16)25-14-15-6-2-1-3-7-15;/h1-9,17-18,21,23H,10-14H2,(H,22,24);1H/t17-,18-;/m1./s1
InChIKeyXXNKDEXFZPZLLL-JAXOOIEVSA-N
XLogP2.07
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
1-benzyl-3-[(3R,4R)-3-hydroxypiperidin-4-yl]urea;hydrochloride
CID 154906200
N-[(1R,3R)-3-aminocyclopentyl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride
CID 154890034
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
N-[(2-phenylmethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119736953
2-(2-ethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557733
1-[(3R,4R)-3-hydroxypiperidin-4-yl]-3-[3-(2-propoxyphenyl)propyl]urea;hydrochloride
CID 154913447
benzyl N-[1-[(3-hydroxypiperidin-4-yl)carbamoyl]cyclohexyl]carbamate;hydrochloride
CID 69314997
N-[(3R,4S)-3-hydroxypiperidin-4-yl]benzamide
CID 15096814
2-phenyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 79688083
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155048
2-(2-chloro-4-fluorophenyl)-N-[(3R,4R)-3-hydroxypiperidin-4-yl]acetamide
CID 70753664

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride (CID 154897273) is N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride is Cl.O=C(Cc1ccccc1OCc1ccccc1)N[C@@H]1CCNC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride?
The InChIKey is XXNKDEXFZPZLLL-JAXOOIEVSA-N. The full InChI is InChI=1S/C20H24N2O3.ClH/c23-18-13-21-11-10-17(18)22-20(24)12-16-8-4-5-9-19(16)25-14-15-6-2-1-3-7-15;/h1-9,17-18,21,23H,10-14H2,(H,22,24);1H/t17-,18-;/m1./s1.
What are the key properties of N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride?
N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride has a molecular weight of 376.88 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-(2-phenylmethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 154897273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).