N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

C24H32N2O2 — CID 171934736

IUPACN-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(Cc1cccc(CO)c1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H32N2O2/c1-2-24(28)26(18-21-9-6-10-22(17-21)19-27)23-12-15-25(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23,27H,2,11-16,18-19H2,1H3
InChIKeyBOKVRDQXYXXJGL-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.62
Rot. Bonds8

About N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide

N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (PubChem CID 171934736) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
PubChem CID171934736
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
SMILESCCC(=O)N(Cc1cccc(CO)c1)C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C24H32N2O2/c1-2-24(28)26(18-21-9-6-10-22(17-21)19-27)23-12-15-25(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23,27H,2,11-16,18-19H2,1H3
InChIKeyBOKVRDQXYXXJGL-UHFFFAOYSA-N
XLogP3.62
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide (CID 171934736) is N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is CCC(=O)N(Cc1cccc(CO)c1)C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
The InChIKey is BOKVRDQXYXXJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-2-24(28)26(18-21-9-6-10-22(17-21)19-27)23-12-15-25(16-13-23)14-11-20-7-4-3-5-8-20/h3-10,17,23,27H,2,11-16,18-19H2,1H3.
What are the key properties of N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide?
N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide has a molecular weight of 380.53 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(hydroxymethyl)phenyl]methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 171934736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).