N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide

C22H28FN3O — CID 46944010

IUPACN-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(=O)NC(c2ccc(F)cc2)c2ncccc2C)CC1
InChIInChI=1S/C22H28FN3O/c1-3-13-26-14-10-18(11-15-26)22(27)25-21(17-6-8-19(23)9-7-17)20-16(2)5-4-12-24-20/h4-9,12,18,21H,3,10-11,13-15H2,1-2H3,(H,25,27)
InChIKeyYEUUBTSOVXVSBJ-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.86
Rot. Bonds6

About N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide

N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide (PubChem CID 46944010) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide
PubChem CID46944010
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC NameN-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide
SMILESCCCN1CCC(C(=O)NC(c2ccc(F)cc2)c2ncccc2C)CC1
InChIInChI=1S/C22H28FN3O/c1-3-13-26-14-10-18(11-15-26)22(27)25-21(17-6-8-19(23)9-7-17)20-16(2)5-4-12-24-20/h4-9,12,18,21H,3,10-11,13-15H2,1-2H3,(H,25,27)
InChIKeyYEUUBTSOVXVSBJ-UHFFFAOYSA-N
XLogP3.86
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-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)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide (CID 46944010) is N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide is CCCN1CCC(C(=O)NC(c2ccc(F)cc2)c2ncccc2C)CC1.
What is the InChIKey of N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide?
The InChIKey is YEUUBTSOVXVSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-3-13-26-14-10-18(11-15-26)22(27)25-21(17-6-8-19(23)9-7-17)20-16(2)5-4-12-24-20/h4-9,12,18,21H,3,10-11,13-15H2,1-2H3,(H,25,27).
What are the key properties of N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide?
N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide has a molecular weight of 369.48 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(3-methyl-2-pyridinyl)methyl]-1-propylpiperidine-4-carboxamide is sourced from PubChem (CID 46944010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).