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

C19H27FN2O — CID 2932344

IUPACazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2cccc(F)c2)C1)N1CCCCCC1
InChIInChI=1S/C19H27FN2O/c20-18-9-5-7-16(13-18)14-21-10-6-8-17(15-21)19(23)22-11-3-1-2-4-12-22/h5,7,9,13,17H,1-4,6,8,10-12,14-15H2
InChIKeyLWRYYZKCURYTQK-UHFFFAOYSA-N
MW318.44 g/mol
LogP3.44
Rot. Bonds3

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

azepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 2932344) has the molecular formula C19H27FN2O and a molecular weight of 318.44 g/mol. Its IUPAC name is azepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
PubChem CID2932344
Molecular FormulaC19H27FN2O
Molecular Weight318.44 g/mol
Exact Mass318.21
IUPAC Nameazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2cccc(F)c2)C1)N1CCCCCC1
InChIInChI=1S/C19H27FN2O/c20-18-9-5-7-16(13-18)14-21-10-6-8-17(15-21)19(23)22-11-3-1-2-4-12-22/h5,7,9,13,17H,1-4,6,8,10-12,14-15H2
InChIKeyLWRYYZKCURYTQK-UHFFFAOYSA-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

1-Benzylazepan-2-one
CID 1491068
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851900
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
1-Benzylpiperidine-2,4-dione
CID 22495541
3-Methyl-1-[4-(4-methyl-benzyl)-piperazin-1-yl]-butan-1-one
CID 742522
(3-Fluorophenyl)[3-(piperidin-1-ylcarbonyl)piperidin-1-yl]methanone
CID 3769094
(4-Fluorophenyl)[3-(piperidin-1-ylcarbonyl)piperidin-1-yl]methanone
CID 3791194
4,4,4-trifluoro-N-({1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl}methyl)-N-methylbutanamide
CID 23723278
1-cyclopropyl-N-(2,3-difluorobenzyl)-6-oxo-3-piperidinecarboxamide
CID 24793923
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
1-[4-[(4-Fluorophenyl)methyl]-4-methyl-1,4-diazepan-4-ium-1-yl]tetradecan-1-one bromide
CID 71524070
N-[(2-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 164851890

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone (CID 2932344) is azepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone is O=C(C1CCCN(Cc2cccc(F)c2)C1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is LWRYYZKCURYTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O/c20-18-9-5-7-16(13-18)14-21-10-6-8-17(15-21)19(23)22-11-3-1-2-4-12-22/h5,7,9,13,17H,1-4,6,8,10-12,14-15H2.
What are the key properties of azepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone?
azepan-1-yl-[1-[(3-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-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 2932344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).