N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide

C27H30FN3O2 — CID 121413116

IUPACN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESCC1(C(=O)NC(c2ccc(F)cc2)c2ccccn2)CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H30FN3O2/c1-27(14-17-31(18-15-27)19-20-33-23-7-3-2-4-8-23)26(32)30-25(24-9-5-6-16-29-24)21-10-12-22(28)13-11-21/h2-13,16,25H,14-15,17-20H2,1H3,(H,30,32)
InChIKeyPGYRASIORQQZOM-UHFFFAOYSA-N
MW447.55 g/mol
LogP4.61
Rot. Bonds8

About N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide

N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide (PubChem CID 121413116) has the molecular formula C27H30FN3O2 and a molecular weight of 447.55 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide
PubChem CID121413116
Molecular FormulaC27H30FN3O2
Molecular Weight447.55 g/mol
Exact Mass447.23
IUPAC NameN-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide
SMILESCC1(C(=O)NC(c2ccc(F)cc2)c2ccccn2)CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H30FN3O2/c1-27(14-17-31(18-15-27)19-20-33-23-7-3-2-4-8-23)26(32)30-25(24-9-5-6-16-29-24)21-10-12-22(28)13-11-21/h2-13,16,25H,14-15,17-20H2,1H3,(H,30,32)
InChIKeyPGYRASIORQQZOM-UHFFFAOYSA-N
XLogP4.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.55
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide (CID 121413116) is N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide is CC1(C(=O)NC(c2ccc(F)cc2)c2ccccn2)CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide?
The InChIKey is PGYRASIORQQZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN3O2/c1-27(14-17-31(18-15-27)19-20-33-23-7-3-2-4-8-23)26(32)30-25(24-9-5-6-16-29-24)21-10-12-22(28)13-11-21/h2-13,16,25H,14-15,17-20H2,1H3,(H,30,32).
What are the key properties of N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide?
N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide has a molecular weight of 447.55 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-pyridin-2-ylmethyl]-4-methyl-1-(2-phenoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 121413116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).