3-fluoro-N-propan-2-ylpiperidine-3-carboxamide

C9H17FN2O — CID 84719189

IUPAC3-fluoro-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1(F)CCCNC1
InChIInChI=1S/C9H17FN2O/c1-7(2)12-8(13)9(10)4-3-5-11-6-9/h7,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyOAUVYQXWDNSDOT-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.60
Rot. Bonds2

About 3-fluoro-N-propan-2-ylpiperidine-3-carboxamide

3-fluoro-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 84719189) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-fluoro-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID84719189
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC Name3-fluoro-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)C1(F)CCCNC1
InChIInChI=1S/C9H17FN2O/c1-7(2)12-8(13)9(10)4-3-5-11-6-9/h7,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyOAUVYQXWDNSDOT-UHFFFAOYSA-N
XLogP0.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 149339132
3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide
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ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
CID 137331820
azetidin-1-yl-(3-fluoropiperidin-3-yl)methanone
CID 84719009
N-[(1R)-1-cycloheptylethyl]-3-methylpiperidine-3-carboxamide
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N-(2-hydroxypropyl)-3-methylpiperidine-3-carboxamide
CID 63129926
3-methylpiperidine-3-carbohydrazide
CID 63991806
N-butan-2-yl-1-fluorocyclobutane-1-carboxamide
CID 130944336
3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 115747548
N-(1-cyanopropan-2-yl)-3-methylpiperidine-3-carboxamide
CID 63134860
3-methyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119945471
N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130629041

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 3-fluoro-N-propan-2-ylpiperidine-3-carboxamide (CID 84719189) is 3-fluoro-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 3-fluoro-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 3-fluoro-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)C1(F)CCCNC1.
What is the InChIKey of 3-fluoro-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is OAUVYQXWDNSDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-7(2)12-8(13)9(10)4-3-5-11-6-9/h7,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-fluoro-N-propan-2-ylpiperidine-3-carboxamide?
3-fluoro-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 188.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 84719189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).