N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide

C22H26N2O4 — CID 1075428

IUPACN-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-27-18-8-9-19(20(15-18)28-2)23-22(26)17-10-12-24(13-11-17)21(25)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,23,26)
InChIKeyYJDBAFZSATUCAQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.12
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide

N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide (PubChem CID 1075428) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
PubChem CID1075428
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC NameN-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-27-18-8-9-19(20(15-18)28-2)23-22(26)17-10-12-24(13-11-17)21(25)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,23,26)
InChIKeyYJDBAFZSATUCAQ-UHFFFAOYSA-N
XLogP3.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide (CID 1075428) is N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The InChIKey is YJDBAFZSATUCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-18-8-9-19(20(15-18)28-2)23-22(26)17-10-12-24(13-11-17)21(25)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,23,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).