N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide

C21H24N2O3 — CID 109051992

IUPACN-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-19-10-8-16(9-11-19)15-22-20(24)17-6-5-7-18(14-17)21(25)23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15H2,1H3,(H,22,24)
InChIKeyIDXFNNCCLTUMIM-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.25
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide

N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide (PubChem CID 109051992) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
PubChem CID109051992
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1
InChIInChI=1S/C21H24N2O3/c1-26-19-10-8-16(9-11-19)15-22-20(24)17-6-5-7-18(14-17)21(25)23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15H2,1H3,(H,22,24)
InChIKeyIDXFNNCCLTUMIM-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081049
N-[(2-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide
CID 109051991
2-[(4-methoxyphenyl)methylamino]-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54837978
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
(3R)-N-[(4-methoxyphenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082533
2-[(4-methoxyphenyl)methylamino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54837855
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970
3-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 109053657
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
3-N-butan-2-yl-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051458

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide (CID 109051992) is N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide is COc1ccc(CNC(=O)c2cccc(C(=O)N3CCCCC3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide?
The InChIKey is IDXFNNCCLTUMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-26-19-10-8-16(9-11-19)15-22-20(24)17-6-5-7-18(14-17)21(25)23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15H2,1H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide?
N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(piperidine-1-carbonyl)benzamide is sourced from PubChem (CID 109051992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).