1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide

C20H22FN3O3 — CID 51306191

IUPAC1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C20H22FN3O3/c1-27-18-9-4-14(11-22-18)12-23-19(25)16-3-2-10-24(13-16)20(26)15-5-7-17(21)8-6-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyXSIVEDUULJUVDW-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.40
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide

1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide (PubChem CID 51306191) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
PubChem CID51306191
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cn1
InChIInChI=1S/C20H22FN3O3/c1-27-18-9-4-14(11-22-18)12-23-19(25)16-3-2-10-24(13-16)20(26)15-5-7-17(21)8-6-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25)
InChIKeyXSIVEDUULJUVDW-UHFFFAOYSA-N
XLogP2.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81119248
(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 1031755
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
1-(4-fluorobenzoyl)-N-[(2-methoxynaphthalen-1-yl)methyl]piperidine-3-carboxamide
CID 55567061
1-(4-fluorobenzoyl)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134023186
1-(2,4-difluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 51317056
(3R)-1-(3,4-difluorobenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082606
1-(4-fluorobenzoyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 136545141
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
1-(4-fluorobenzoyl)-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 18103397

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide (CID 51306191) is 1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide is COc1ccc(CNC(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cn1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
The InChIKey is XSIVEDUULJUVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-27-18-9-4-14(11-22-18)12-23-19(25)16-3-2-10-24(13-16)20(26)15-5-7-17(21)8-6-15/h4-9,11,16H,2-3,10,12-13H2,1H3,(H,23,25).
What are the key properties of 1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide?
1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 51306191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).