N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide

C22H26N2O3 — CID 1075531

IUPACN-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16-8-9-20(27-2)19(14-16)23-22(26)18-10-12-24(13-11-18)21(25)15-17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyUZAQFFBDIDPAQS-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.42
Rot. Bonds5

About N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide

N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide (PubChem CID 1075531) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
PubChem CID1075531
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C22H26N2O3/c1-16-8-9-20(27-2)19(14-16)23-22(26)18-10-12-24(13-11-18)21(25)15-17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyUZAQFFBDIDPAQS-UHFFFAOYSA-N
XLogP3.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide (CID 1075531) is N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide is COc1ccc(C)cc1NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
The InChIKey is UZAQFFBDIDPAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-8-9-20(27-2)19(14-16)23-22(26)18-10-12-24(13-11-18)21(25)15-17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide?
N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).