3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide

C17H26FN3O2 — CID 132776743

IUPAC3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide
SMILESCOC1(CCC(=O)N(C)C)CCCN(Cc2ncccc2F)C1
InChIInChI=1S/C17H26FN3O2/c1-20(2)16(22)7-9-17(23-3)8-5-11-21(13-17)12-15-14(18)6-4-10-19-15/h4,6,10H,5,7-9,11-13H2,1-3H3
InChIKeyNEHZGWXBHRYABM-UHFFFAOYSA-N
MW323.41 g/mol
LogP2.07
Rot. Bonds6

About 3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide

3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide (PubChem CID 132776743) has the molecular formula C17H26FN3O2 and a molecular weight of 323.41 g/mol. Its IUPAC name is 3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide
PubChem CID132776743
Molecular FormulaC17H26FN3O2
Molecular Weight323.41 g/mol
Exact Mass323.20
IUPAC Name3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide
SMILESCOC1(CCC(=O)N(C)C)CCCN(Cc2ncccc2F)C1
InChIInChI=1S/C17H26FN3O2/c1-20(2)16(22)7-9-17(23-3)8-5-11-21(13-17)12-15-14(18)6-4-10-19-15/h4,6,10H,5,7-9,11-13H2,1-3H3
InChIKeyNEHZGWXBHRYABM-UHFFFAOYSA-N
XLogP2.07
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide 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

2-[1-[(3-fluoro-2-pyridinyl)methyl]-2-(methoxymethyl)pyrrolidin-2-yl]-N,N-dimethylacetamide
CID 132776492
(3S,4R,6R)-2-(cyclopropylmethyl)-8-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxy-3-phenyl-2,8-diazaspiro[5.5]undecan-1-one
CID 155989234
(4S,6S)-2-benzyl-4-ethoxy-8-[(3-fluoro-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 155988632
3-(3-methoxypropyl)-1-[(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 72852523
2-[1-[(2-amino-3-pyridinyl)methyl]-3-hydroxypiperidin-3-yl]-N,N-dimethylacetamide
CID 167822220
3-[3-methoxy-1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-N-methylpropanamide
CID 132948438
4-[(3-fluoro-2-pyridinyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 172880678
(3S,4S)-1-[(3-fluoro-2-pyridinyl)methyl]-3-methyl-4-phenoxypiperidin-3-ol
CID 110145963
[3-methoxy-1-[(2-pyridin-2-ylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 154783388
3-[(4-fluorophenoxy)methyl]-3-methoxy-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidine
CID 132764280
[2-[(3,3-dimethylpiperidin-1-yl)methyl]-3-pyridinyl]methanamine
CID 114199075
methyl 2-[(3-hydroxy-3-methylpyrrolidin-1-yl)methyl]pyridine-3-carboxylate
CID 114198822

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide (CID 132776743) is 3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide is COC1(CCC(=O)N(C)C)CCCN(Cc2ncccc2F)C1.
What is the InChIKey of 3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is NEHZGWXBHRYABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2/c1-20(2)16(22)7-9-17(23-3)8-5-11-21(13-17)12-15-14(18)6-4-10-19-15/h4,6,10H,5,7-9,11-13H2,1-3H3.
What are the key properties of 3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide?
3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 323.41 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-fluoro-2-pyridinyl)methyl]-3-methoxypiperidin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 132776743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).