1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide

C17H24FN3O2 — CID 154798410

IUPAC1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)C1(O)CCCN(Cc2c(F)cccc2N2CCCC2)C1
InChIInChI=1S/C17H24FN3O2/c18-14-5-3-6-15(21-9-1-2-10-21)13(14)11-20-8-4-7-17(23,12-20)16(19)22/h3,5-6,23H,1-2,4,7-12H2,(H2,19,22)
InChIKeyZOBQFRZCCVGQPE-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.24
Rot. Bonds4

About 1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide

1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 154798410) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID154798410
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)C1(O)CCCN(Cc2c(F)cccc2N2CCCC2)C1
InChIInChI=1S/C17H24FN3O2/c18-14-5-3-6-15(21-9-1-2-10-21)13(14)11-20-8-4-7-17(23,12-20)16(19)22/h3,5-6,23H,1-2,4,7-12H2,(H2,19,22)
InChIKeyZOBQFRZCCVGQPE-UHFFFAOYSA-N
XLogP1.24
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964595
(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484394
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129483740
(3S)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484116
(3R)-1-[(5-chloro-2-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484115
1-[(2,6-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115883312
1-[(2-chloro-5-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964608
(3S)-1-[(2-bromo-4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129482461
3-hydroxy-1-[[3-(methoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 128982995
1-[(4-cyanophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 128964591
(3S)-3-hydroxy-1-[(4-pyrazol-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 129484487
(3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484510

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide (CID 154798410) is 1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide is NC(=O)C1(O)CCCN(Cc2c(F)cccc2N2CCCC2)C1.
What is the InChIKey of 1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is ZOBQFRZCCVGQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c18-14-5-3-6-15(21-9-1-2-10-21)13(14)11-20-8-4-7-17(23,12-20)16(19)22/h3,5-6,23H,1-2,4,7-12H2,(H2,19,22).
What are the key properties of 1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 154798410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).