2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide

C14H15FN2O3 — CID 167457452

IUPAC2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide
SMILESO=NC(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H15FN2O3/c15-12-3-1-10(2-4-12)9-11-5-7-17(8-6-11)14(19)13(18)16-20/h1-4,11H,5-9H2
InChIKeyXSSLRBVJBGFQLL-UHFFFAOYSA-N
MW278.28 g/mol
LogP1.90
Rot. Bonds2

About 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide

2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide (PubChem CID 167457452) has the molecular formula C14H15FN2O3 and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide
PubChem CID167457452
Molecular FormulaC14H15FN2O3
Molecular Weight278.28 g/mol
Exact Mass278.11
IUPAC Name2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide
SMILESO=NC(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H15FN2O3/c15-12-3-1-10(2-4-12)9-11-5-7-17(8-6-11)14(19)13(18)16-20/h1-4,11H,5-9H2
InChIKeyXSSLRBVJBGFQLL-UHFFFAOYSA-N
XLogP1.90
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 110289503
(2S)-2-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxypropan-1-one
CID 70755897
3-amino-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]butan-1-one
CID 119767330
(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 95301170
(1R,6S)-3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 133129902
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 56822661
1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-methyl-3-methylsulfonylpropan-1-one
CID 84585639
[(1S,3S,4S)-3-amino-4-hydroxycyclopentyl]-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone;hydrochloride
CID 163334101
1-(4-benzylpiperidin-1-yl)-2-[(4-fluorophenyl)methylamino]ethanone
CID 108997744
(6-amino-3-pyridinyl)-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 70706949
methyl N-[(2S)-1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 97187729
3-(4-benzylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-3-oxopropanamide
CID 108946418

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide (CID 167457452) is 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide is O=NC(=O)C(=O)N1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide?
The InChIKey is XSSLRBVJBGFQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O3/c15-12-3-1-10(2-4-12)9-11-5-7-17(8-6-11)14(19)13(18)16-20/h1-4,11H,5-9H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide?
2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide has a molecular weight of 278.28 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N,2-dioxoacetamide is sourced from PubChem (CID 167457452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).