N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide

C22H26N2O3 — CID 78779545

IUPACN,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(CC1)C(=O)COC2=CC=CC=C2C3=CC=CC=C3
InChIInChI=1S/C22H26N2O3/c1-23(2)22(26)18-12-14-24(15-13-18)21(25)16-27-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-11,18H,12-16H2,1-2H3
InChIKeyYQHVUWCPMITXLT-UHFFFAOYSA-N
MW366.50 g/mol
LogP2.70
Rot. Bonds5

About N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide

N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 78779545) has the molecular formula C22H26N2O3 and a molecular weight of 366.50 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide
PubChem CID78779545
Molecular FormulaC22H26N2O3
Molecular Weight366.50 g/mol
Exact Mass366.19
IUPAC NameN,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(CC1)C(=O)COC2=CC=CC=C2C3=CC=CC=C3
InChIInChI=1S/C22H26N2O3/c1-23(2)22(26)18-12-14-24(15-13-18)21(25)16-27-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-11,18H,12-16H2,1-2H3
InChIKeyYQHVUWCPMITXLT-UHFFFAOYSA-N
XLogP2.70
TPSA49.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity494

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide (CID 78779545) is N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide is CN(C)C(=O)C1CCN(CC1)C(=O)COC2=CC=CC=C2C3=CC=CC=C3.
What is the InChIKey of N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is YQHVUWCPMITXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-23(2)22(26)18-12-14-24(15-13-18)21(25)16-27-20-11-7-6-10-19(20)17-8-4-3-5-9-17/h3-11,18H,12-16H2,1-2H3.
What are the key properties of N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide?
N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(2-phenylphenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 78779545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).