[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid

C19H25FN2O5 — CID 2933676

IUPAC[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H23FN2O.C2H2O4/c18-16-8-2-1-6-14(16)12-19-9-5-7-15(13-19)17(21)20-10-3-4-11-20;3-1(4)2(5)6/h1-2,6,8,15H,3-5,7,9-13H2;(H,3,4)(H,5,6)
InChIKeyCHZBZFDJWQRAJH-UHFFFAOYSA-N
MW380.42 g/mol
LogP1.82
Rot. Bonds3

About [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid

[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid (PubChem CID 2933676) has the molecular formula C19H25FN2O5 and a molecular weight of 380.42 g/mol. Its IUPAC name is [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid.

Molecular Properties

Compound Name[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
PubChem CID2933676
Molecular FormulaC19H25FN2O5
Molecular Weight380.42 g/mol
Exact Mass380.17
IUPAC Name[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
SMILESO=C(C1CCCN(Cc2ccccc2F)C1)N1CCCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H23FN2O.C2H2O4/c18-16-8-2-1-6-14(16)12-19-9-5-7-15(13-19)17(21)20-10-3-4-11-20;3-1(4)2(5)6/h1-2,6,8,15H,3-5,7,9-13H2;(H,3,4)(H,5,6)
InChIKeyCHZBZFDJWQRAJH-UHFFFAOYSA-N
XLogP1.82
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 2930873
Cambridge id 5260289
CID 2838041
1-(3,4-difluorobenzyl)-N,N-diethyl-3-piperidinecarboxamide
CID 2838224
1-(2-fluorobenzyl)-N-(2-phenylethyl)-4-piperidinecarboxamide oxalate
CID 2903381
N-benzyl-1-(3-cyclohexen-1-ylmethyl)-N-ethyl-4-piperidinecarboxamide oxalate
CID 2903453
N-benzyl-1-(3-methylbutanoyl)-N-(2-phenylethyl)-4-piperidinamine oxalate
CID 2912084
3-(1-Piperidinylcarbonyl)-1-[2-(trifluoromethyl)benzyl]piperidine oxalate
CID 2932263
1-{[1-(4-Fluorobenzyl)-4-piperidinyl]carbonyl}-4-(3-phenyl-2-propen-1-yl)piperazine oxalate
CID 5731018
(3,4-dihydroisoquinolin-2(1H)-yl)(1-(2-fluorobenzyl)piperidin-3-yl)methanone oxalate
CID 16682280
1-[4-(4-Fluoro-benzyl)-piperazin-1-yl]-2-phenyl-ethanone
CID 17365985
(1-(4-Methylbenzyl)piperidin-3-yl)(pyrrolidin-1-yl)methanone oxalate
CID 24747461
(1-(4-Fluorobenzyl)piperidin-3-yl)(piperidin-1-yl)methanone oxalate
CID 24747462

Frequently Asked Questions

What is the IUPAC name of [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid?
The IUPAC name of [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid (CID 2933676) is [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid.
What is the SMILES notation for [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid?
The canonical SMILES for [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid is O=C(C1CCCN(Cc2ccccc2F)C1)N1CCCC1.O=C(O)C(=O)O.
What is the InChIKey of [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid?
The InChIKey is CHZBZFDJWQRAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O.C2H2O4/c18-16-8-2-1-6-14(16)12-19-9-5-7-15(13-19)17(21)20-10-3-4-11-20;3-1(4)2(5)6/h1-2,6,8,15H,3-5,7,9-13H2;(H,3,4)(H,5,6).
What are the key properties of [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid?
[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid has a molecular weight of 380.42 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid is sourced from PubChem (CID 2933676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).