N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide

C22H26N2O3 — CID 55590117

IUPACN-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16(23-21(26)19-10-6-3-7-11-19)22(27)24-14-12-18(13-15-24)20(25)17-8-4-2-5-9-17/h2-11,16,18,20,25H,12-15H2,1H3,(H,23,26)
InChIKeyPUDUQHBCJDRZDV-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.78
Rot. Bonds5

About N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide

N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 55590117) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID55590117
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16(23-21(26)19-10-6-3-7-11-19)22(27)24-14-12-18(13-15-24)20(25)17-8-4-2-5-9-17/h2-11,16,18,20,25H,12-15H2,1H3,(H,23,26)
InChIKeyPUDUQHBCJDRZDV-UHFFFAOYSA-N
XLogP2.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55832880
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110909513
N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 66291291
N-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 94035900
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 62370951
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110921876
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-one
CID 110909523
2-amino-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-4-methylpentan-1-one
CID 110909501
N-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 2558168
ethyl 4-[(2S)-2-benzamidopropanoyl]piperazine-1-carboxylate
CID 2667430
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(3-methylphenyl)propan-1-one
CID 111439401

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 55590117) is N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is PUDUQHBCJDRZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16(23-21(26)19-10-6-3-7-11-19)22(27)24-14-12-18(13-15-24)20(25)17-8-4-2-5-9-17/h2-11,16,18,20,25H,12-15H2,1H3,(H,23,26).
What are the key properties of N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 55590117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).