1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one

C17H21FN2O3 — CID 24817232

IUPAC1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1Cc1cccc(F)c1
InChIInChI=1S/C17H21FN2O3/c18-15-5-3-4-13(10-15)11-19-12-14(6-7-16(19)21)17(22)20-8-1-2-9-23-20/h3-5,10,14H,1-2,6-9,11-12H2
InChIKeyHQLJAQIJYQQPPO-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.12
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one

1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (PubChem CID 24817232) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
PubChem CID24817232
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCCCO2)CN1Cc1cccc(F)c1
InChIInChI=1S/C17H21FN2O3/c18-15-5-3-4-13(10-15)11-19-12-14(6-7-16(19)21)17(22)20-8-1-2-9-23-20/h3-5,10,14H,1-2,6-9,11-12H2
InChIKeyHQLJAQIJYQQPPO-UHFFFAOYSA-N
XLogP2.12
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Fluorophenyl)[3-(piperidin-1-ylcarbonyl)piperidin-1-yl]methanone
CID 3769094
(4-Fluorophenyl)[3-(piperidin-1-ylcarbonyl)piperidin-1-yl]methanone
CID 3791194
1-benzyl-N,N-diethyl-3-piperidinecarboxamide
CID 2838082
Cambridge id 5260289
CID 2838041
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224
1-(2-(1-Benzylpiperidin-4-yl)ethyl)piperidin-2-one
CID 10335000
1-[2-(3-Fluorophenyl)ethyl]-5-[(4-methoxy-1-piperidinyl)carbonyl]-2-piperidinone
CID 24790276
1-[2-(3-Fluorophenyl)ethyl]-5-(4-methylpiperazine-1-carbonyl)piperidin-2-one
CID 24793260
5-(1,2-Oxazolidine-2-carbonyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-2-one
CID 24793450
5-{[4-(Methoxymethyl)-1-piperidinyl]carbonyl}-1-[3-(trifluoromethyl)benzyl]-2-piperidinone
CID 24794332
Ethyl 1-({6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinyl}carbonyl)-4-piperidinecarboxylate
CID 24817098
N-cyclohexyl-1-(3-fluorobenzyl)-6-keto-N-methyl-nipecotamide
CID 24817398

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one (CID 24817232) is 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCCCO2)CN1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
The InChIKey is HQLJAQIJYQQPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c18-15-5-3-4-13(10-15)11-19-12-14(6-7-16(19)21)17(22)20-8-1-2-9-23-20/h3-5,10,14H,1-2,6-9,11-12H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one?
1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one has a molecular weight of 320.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-5-(oxazinane-2-carbonyl)piperidin-2-one is sourced from PubChem (CID 24817232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).