N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide

C27H29ClFN3O2 — CID 46943778

IUPACN-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESCc1cccnc1C(NC(=O)C1CCN(CCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C27H29ClFN3O2/c1-19-3-2-14-30-25(19)26(20-4-6-22(28)7-5-20)31-27(33)21-12-15-32(16-13-21)17-18-34-24-10-8-23(29)9-11-24/h2-11,14,21,26H,12-13,15-18H2,1H3,(H,31,33)
InChIKeyFLUNFKZVHGWSKC-UHFFFAOYSA-N
MW482.00 g/mol
LogP5.18
Rot. Bonds8

About N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide

N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 46943778) has the molecular formula C27H29ClFN3O2 and a molecular weight of 482.00 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
PubChem CID46943778
Molecular FormulaC27H29ClFN3O2
Molecular Weight482.00 g/mol
Exact Mass481.19
IUPAC NameN-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESCc1cccnc1C(NC(=O)C1CCN(CCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C27H29ClFN3O2/c1-19-3-2-14-30-25(19)26(20-4-6-22(28)7-5-20)31-27(33)21-12-15-32(16-13-21)17-18-34-24-10-8-23(29)9-11-24/h2-11,14,21,26H,12-13,15-18H2,1H3,(H,31,33)
InChIKeyFLUNFKZVHGWSKC-UHFFFAOYSA-N
XLogP5.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.00
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]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-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide (CID 46943778) is N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide is Cc1cccnc1C(NC(=O)C1CCN(CCOc2ccc(F)cc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is FLUNFKZVHGWSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClFN3O2/c1-19-3-2-14-30-25(19)26(20-4-6-22(28)7-5-20)31-27(33)21-12-15-32(16-13-21)17-18-34-24-10-8-23(29)9-11-24/h2-11,14,21,26H,12-13,15-18H2,1H3,(H,31,33).
What are the key properties of N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 482.00 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46943778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).