[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

C20H23FN2O3 — CID 42298650

IUPAC[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN2O3/c1-26-18-17(4-2-10-22-18)19(25)23-11-3-9-20(13-23,14-24)12-15-5-7-16(21)8-6-15/h2,4-8,10,24H,3,9,11-14H2,1H3/t20-/m0/s1
InChIKeyBIUFBDUUMSAXGS-FQEVSTJZSA-N
MW358.41 g/mol
LogP2.69
Rot. Bonds5

About [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone

[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (PubChem CID 42298650) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.

Molecular Properties

Compound Name[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
PubChem CID42298650
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
SMILESCOc1ncccc1C(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1
InChIInChI=1S/C20H23FN2O3/c1-26-18-17(4-2-10-22-18)19(25)23-11-3-9-20(13-23,14-24)12-15-5-7-16(21)8-6-15/h2,4-8,10,24H,3,9,11-14H2,1H3/t20-/m0/s1
InChIKeyBIUFBDUUMSAXGS-FQEVSTJZSA-N
XLogP2.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone 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

(3R,4R)-3-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 164696381
1-(2-methoxypyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133754
(8-chloroquinolin-5-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 154838598
(3-ethyl-1-methylpyrazol-5-yl)-[3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 24816680
(3-ethyl-1-methylpyrazol-5-yl)-[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42465945
(4,4-difluoropiperidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 121184561
(3,3-difluoroazetidin-1-yl)-(2-methoxy-3-pyridinyl)methanone
CID 122269321
[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 42591222
(4-fluorophenyl)-[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methanone
CID 25278388
[(3S)-3-benzyl-3-(hydroxymethyl)piperidin-1-yl]-(2,3-dihydro-1-benzofuran-7-yl)methanone
CID 95209404
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 107160131
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95617040

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The IUPAC name of [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone (CID 42298650) is [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone.
What is the SMILES notation for [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The canonical SMILES for [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is COc1ncccc1C(=O)N1CCC[C@](CO)(Cc2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
The InChIKey is BIUFBDUUMSAXGS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-26-18-17(4-2-10-22-18)19(25)23-11-3-9-20(13-23,14-24)12-15-5-7-16(21)8-6-15/h2,4-8,10,24H,3,9,11-14H2,1H3/t20-/m0/s1.
What are the key properties of [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone?
[(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone has a molecular weight of 358.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone is sourced from PubChem (CID 42298650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).