N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide

C20H24N2O3 — CID 164628455

IUPACN-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2N2CCCCC2)cc1O
InChIInChI=1S/C20H24N2O3/c1-25-19-10-9-15(13-18(19)23)14-21-20(24)16-7-3-4-8-17(16)22-11-5-2-6-12-22/h3-4,7-10,13,23H,2,5-6,11-12,14H2,1H3,(H,21,24)
InChIKeyLEWVMNBOAHFAOP-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.32
Rot. Bonds5

About N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide

N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide (PubChem CID 164628455) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
PubChem CID164628455
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccccc2N2CCCCC2)cc1O
InChIInChI=1S/C20H24N2O3/c1-25-19-10-9-15(13-18(19)23)14-21-20(24)16-7-3-4-8-17(16)22-11-5-2-6-12-22/h3-4,7-10,13,23H,2,5-6,11-12,14H2,1H3,(H,21,24)
InChIKeyLEWVMNBOAHFAOP-UHFFFAOYSA-N
XLogP3.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(3',4'-dimethoxycinnamoyl)anthranilic acid
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2-(3-hydroxy-4-methoxyphenyl)-3H-quinazolin-4-one
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Avenanthramide E
CID 10245047
4-(2-hydroxy-5-methylphenoxy)-N-[(2S)-1-[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]benzamide
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N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]acetamide
CID 624917
2-(3-ethoxy-4-hydroxyphenyl)-3-propyl-2,3-dihydroquinazolin-4(1H)-one
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2-(3,4-dimethoxyphenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 484122
4-(1-benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 15989301
3-hydroxy-N-[(2S)-1-[(3S)-4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]-4-(3-methylphenoxy)benzamide
CID 71681353

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide (CID 164628455) is N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide is COc1ccc(CNC(=O)c2ccccc2N2CCCCC2)cc1O.
What is the InChIKey of N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
The InChIKey is LEWVMNBOAHFAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-25-19-10-9-15(13-18(19)23)14-21-20(24)16-7-3-4-8-17(16)22-11-5-2-6-12-22/h3-4,7-10,13,23H,2,5-6,11-12,14H2,1H3,(H,21,24).
What are the key properties of N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide?
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 164628455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).