N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide

C22H26N2O3 — CID 1075488

IUPACN-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-27-20-9-7-18(8-10-20)16-23-22(26)19-11-13-24(14-12-19)21(25)15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,26)
InChIKeyXVIDULMCEAPLSC-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.79
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide (PubChem CID 1075488) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide
PubChem CID1075488
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H26N2O3/c1-27-20-9-7-18(8-10-20)16-23-22(26)19-11-13-24(14-12-19)21(25)15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,26)
InChIKeyXVIDULMCEAPLSC-UHFFFAOYSA-N
XLogP2.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide (CID 1075488) is N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(C(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide?
The InChIKey is XVIDULMCEAPLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-20-9-7-18(8-10-20)16-23-22(26)19-11-13-24(14-12-19)21(25)15-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,26).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(2-phenylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).