4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

C16H22FN3O2 — CID 113008251

IUPAC4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCC(C)NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H22FN3O2/c1-11(2)18-16(22)20-8-6-12(7-9-20)15(21)19-14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyQBJDFRMLBVWFNR-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.59
Rot. Bonds3

About 4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide

4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (PubChem CID 113008251) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
PubChem CID113008251
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
SMILESCC(C)NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C16H22FN3O2/c1-11(2)18-16(22)20-8-6-12(7-9-20)15(21)19-14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyQBJDFRMLBVWFNR-UHFFFAOYSA-N
XLogP2.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314077
1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 26086523
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
1-N-propan-2-yl-4-N-(4-propan-2-ylphenyl)piperidine-1,4-dicarboxamide
CID 46428935
N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113008221
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622
1-N-(3-fluorophenyl)piperidine-1,4-dicarboxamide
CID 108893994
3-[4-[(3-fluorophenyl)carbamoyl]piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120549857
4-N-(4-methoxyphenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428723
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide (CID 113008251) is 4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is CC(C)NC(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
The InChIKey is QBJDFRMLBVWFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-11(2)18-16(22)20-8-6-12(7-9-20)15(21)19-14-5-3-4-13(17)10-14/h3-5,10-12H,6-9H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide?
4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide has a molecular weight of 307.37 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluorophenyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 113008251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).