2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide

C22H26N2O3 — CID 41176180

IUPAC2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16(27-20-10-6-5-9-19(20)21(23)25)22(26)24-13-11-18(12-14-24)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H2,23,25)/t16-/m1/s1
InChIKeyHVXXUDYEACITGJ-MRXNPFEDSA-N
MW366.46 g/mol
LogP3.03
Rot. Bonds6

About 2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide

2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide (PubChem CID 41176180) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide
PubChem CID41176180
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide
SMILESC[C@@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16(27-20-10-6-5-9-19(20)21(23)25)22(26)24-13-11-18(12-14-24)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H2,23,25)/t16-/m1/s1
InChIKeyHVXXUDYEACITGJ-MRXNPFEDSA-N
XLogP3.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-(4-chloro-2-methylphenoxy)propan-1-one
CID 4143277
2-(2-benzylphenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 166191419
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenoxy)propan-1-one
CID 43905657
methyl 4-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzoate
CID 18096879
1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide
CID 43886059
(2S)-1-(4-benzylpiperidin-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-one
CID 100522778
2-amino-1-(4-benzylpiperidin-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119262390
N-[1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]acetamide
CID 78780530
4-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxy-3-nitrobenzaldehyde
CID 8559222
(3R)-1-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 100840635
ethyl N-[(2S)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348071
(2R)-2-amino-1-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928446

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide?
The IUPAC name of 2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide (CID 41176180) is 2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide.
What is the SMILES notation for 2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide?
The canonical SMILES for 2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide is C[C@@H](Oc1ccccc1C(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide?
The InChIKey is HVXXUDYEACITGJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(27-20-10-6-5-9-19(20)21(23)25)22(26)24-13-11-18(12-14-24)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H2,23,25)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide?
2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide has a molecular weight of 366.46 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]oxybenzamide is sourced from PubChem (CID 41176180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).