N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide

C21H26N2O2 — CID 131952254

IUPACN-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H26N2O2/c24-16-19-6-4-17(5-7-19)14-22-21(25)20-10-8-18(9-11-20)15-23-12-2-1-3-13-23/h4-11,24H,1-3,12-16H2,(H,22,25)
InChIKeyGBHCMMKXIDRPSI-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.09
Rot. Bonds6

About N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide

N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 131952254) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
PubChem CID131952254
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide
SMILESO=C(NCc1ccc(CO)cc1)c1ccc(CN2CCCCC2)cc1
InChIInChI=1S/C21H26N2O2/c24-16-19-6-4-17(5-7-19)14-22-21(25)20-10-8-18(9-11-20)15-23-12-2-1-3-13-23/h4-11,24H,1-3,12-16H2,(H,22,25)
InChIKeyGBHCMMKXIDRPSI-UHFFFAOYSA-N
XLogP3.09
TPSA52.57 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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 9049744
N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]furan-3-carboxamide
CID 24532506
N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 122157149
4-(azepan-1-ylmethyl)-N-propylbenzamide
CID 43924202
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918036
3-fluoro-4-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 8546489
N-ethyl-4-[[[N'-methyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111410988
4-(chloromethyl)-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230293
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-chloropyridine-4-carboxamide
CID 60602338
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918037

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide (CID 131952254) is N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide is O=C(NCc1ccc(CO)cc1)c1ccc(CN2CCCCC2)cc1.
What is the InChIKey of N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is GBHCMMKXIDRPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-16-19-6-4-17(5-7-19)14-22-21(25)20-10-8-18(9-11-20)15-23-12-2-1-3-13-23/h4-11,24H,1-3,12-16H2,(H,22,25).
What are the key properties of N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide?
N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydroxymethyl)phenyl]methyl]-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 131952254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).