azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone

C19H27FN2O — CID 756318

IUPACazepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCCCCC1
InChIInChI=1S/C19H27FN2O/c20-18-10-4-3-8-16(18)14-21-11-7-9-17(15-21)19(23)22-12-5-1-2-6-13-22/h3-4,8,10,17H,1-2,5-7,9,11-15H2/t17-/m1/s1
InChIKeyYNWMNHOJYFOXBK-QGZVFWFLSA-N
MW318.44 g/mol
LogP3.44
Rot. Bonds3

About azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone

azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 756318) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
PubChem CID756318
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Nameazepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCCCCC1
InChIInChI=1S/C19H27FN2O/c20-18-10-4-3-8-16(18)14-21-11-7-9-17(15-21)19(23)22-12-5-1-2-6-13-22/h3-4,8,10,17H,1-2,5-7,9,11-15H2/t17-/m1/s1
InChIKeyYNWMNHOJYFOXBK-QGZVFWFLSA-N
XLogP3.44
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43922259
3,4-dihydro-1H-isoquinolin-2-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 1400992
1-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]ethanone
CID 63846661
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
1-[(2-fluorophenyl)methyl]-N-methylpiperidine-3-carboxamide
CID 43918336
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
2,3-dihydroindol-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926283
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-[(3S)-1-methylsulfonylpiperidin-3-yl]methanone
CID 28559689
3,4-dihydro-2H-quinolin-1-yl-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 43926265
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone (CID 756318) is azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone is O=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is YNWMNHOJYFOXBK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27FN2O/c20-18-10-4-3-8-16(18)14-21-11-7-9-17(15-21)19(23)22-12-5-1-2-6-13-22/h3-4,8,10,17H,1-2,5-7,9,11-15H2/t17-/m1/s1.
What are the key properties of azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone?
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 318.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 756318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).