1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

C13H16F2N2O2 — CID 128964595

IUPAC1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)C1(O)CCCN(Cc2cccc(F)c2F)C1
InChIInChI=1S/C13H16F2N2O2/c14-10-4-1-3-9(11(10)15)7-17-6-2-5-13(19,8-17)12(16)18/h1,3-4,19H,2,5-8H2,(H2,16,18)
InChIKeySQWOYCRRLZFGOI-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.78
Rot. Bonds3

About 1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 128964595) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID128964595
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESNC(=O)C1(O)CCCN(Cc2cccc(F)c2F)C1
InChIInChI=1S/C13H16F2N2O2/c14-10-4-1-3-9(11(10)15)7-17-6-2-5-13(19,8-17)12(16)18/h1,3-4,19H,2,5-8H2,(H2,16,18)
InChIKeySQWOYCRRLZFGOI-UHFFFAOYSA-N
XLogP0.78
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2,3-dichlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484394
(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-fluoro-6-pyrrolidin-1-ylphenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 154798410
3-[7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl]propanamide
CID 119071698
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129483740
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
1-[(2,3-difluorophenyl)methyl]-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 70727854
(3S)-1-[(2-bromo-5-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
CID 129484510
(3S)-3-hydroxy-1-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 100649159
1-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3,3,3-trifluoropropan-1-one
CID 25386653

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (CID 128964595) is 1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is NC(=O)C1(O)CCCN(Cc2cccc(F)c2F)C1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is SQWOYCRRLZFGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-10-4-1-3-9(11(10)15)7-17-6-2-5-13(19,8-17)12(16)18/h1,3-4,19H,2,5-8H2,(H2,16,18).
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 270.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128964595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).