N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide

C24H30N2O4 — CID 156687025

IUPACN-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(CO)c(CO)c1)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c27-16-21-7-6-19(14-22(21)17-28)8-11-25-24(30)20-9-12-26(13-10-20)23(29)15-18-4-2-1-3-5-18/h1-7,14,20,27-28H,8-13,15-17H2,(H,25,30)
InChIKeyYLTOVGIZACINJN-UHFFFAOYSA-N
MW410.51 g/mol
LogP1.81
Rot. Bonds8

About N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide

N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide (PubChem CID 156687025) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide
PubChem CID156687025
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESO=C(NCCc1ccc(CO)c(CO)c1)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C24H30N2O4/c27-16-21-7-6-19(14-22(21)17-28)8-11-25-24(30)20-9-12-26(13-10-20)23(29)15-18-4-2-1-3-5-18/h1-7,14,20,27-28H,8-13,15-17H2,(H,25,30)
InChIKeyYLTOVGIZACINJN-UHFFFAOYSA-N
XLogP1.81
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenyl)acetyl]-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004740
1-[2-(2-fluorophenyl)acetyl]-N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 113004677
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
1-acetyl-N-[2-(3-acetylphenyl)ethyl]piperidine-4-carboxamide
CID 90729185
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
N-benzyl-1-[3-(2-hydroxyphenyl)propanoyl]piperidine-4-carboxamide
CID 31588009
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-benzoylpiperidine-4-carboxamide
CID 110615621
N-(2-phenylethyl)-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693509
N-[2-(4-methoxyphenyl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631173
N-(3,4-dimethylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006448
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(2-phenylmethoxyacetyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881854

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide (CID 156687025) is N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide is O=C(NCCc1ccc(CO)c(CO)c1)C1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide?
The InChIKey is YLTOVGIZACINJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c27-16-21-7-6-19(14-22(21)17-28)8-11-25-24(30)20-9-12-26(13-10-20)23(29)15-18-4-2-1-3-5-18/h1-7,14,20,27-28H,8-13,15-17H2,(H,25,30).
What are the key properties of N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide?
N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 1.81, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,4-bis(hydroxymethyl)phenyl]ethyl]-1-(2-phenylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 156687025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).