N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide

C21H26N2O2 — CID 56900934

IUPACN-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-7-3-2-6-19(20)15-23-21(24)18-10-8-16(9-11-18)13-17-5-4-12-22-14-17/h2-3,6-11,17,22H,4-5,12-15H2,1H3,(H,23,24)
InChIKeyCKLSTRSIFBIIKT-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.17
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide

N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide (PubChem CID 56900934) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide
PubChem CID56900934
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide
SMILESCOc1ccccc1CNC(=O)c1ccc(CC2CCCNC2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-7-3-2-6-19(20)15-23-21(24)18-10-8-16(9-11-18)13-17-5-4-12-22-14-17/h2-3,6-11,17,22H,4-5,12-15H2,1H3,(H,23,24)
InChIKeyCKLSTRSIFBIIKT-UHFFFAOYSA-N
XLogP3.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60895170
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
4-[[(3R)-piperidin-3-yl]methyl]-N-[(1-propylpyrazol-4-yl)methyl]benzamide
CID 95726413
N-[(2,3-dimethoxyphenyl)methyl]-2-fluoro-5-(pyrrolidin-3-ylmethyl)benzamide;hydrochloride
CID 171712860
4-tert-butyl-N-[(2-methoxyphenyl)methyl]benzamide
CID 795553
4-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 94805308
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441
N-[(2-methoxyphenyl)methyl]-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 53283594
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
N-[(2,6-dimethoxyphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95713844
4-(azepane-1-carbonyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 109047377

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide (CID 56900934) is N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide is COc1ccccc1CNC(=O)c1ccc(CC2CCCNC2)cc1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide?
The InChIKey is CKLSTRSIFBIIKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-7-3-2-6-19(20)15-23-21(24)18-10-8-16(9-11-18)13-17-5-4-12-22-14-17/h2-3,6-11,17,22H,4-5,12-15H2,1H3,(H,23,24).
What are the key properties of N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide?
N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-4-(piperidin-3-ylmethyl)benzamide is sourced from PubChem (CID 56900934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).