1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide

C16H19FN2O2 — CID 79698373

IUPAC1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cc(F)cc(C#CCO)c2)C1
InChIInChI=1S/C16H19FN2O2/c17-15-8-12(3-2-6-20)7-13(9-15)10-19-5-1-4-14(11-19)16(18)21/h7-9,14,20H,1,4-6,10-11H2,(H2,18,21)
InChIKeyLWDCTWHTBIANSQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP0.87
Rot. Bonds3

About 1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide

1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 79698373) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID79698373
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2cc(F)cc(C#CCO)c2)C1
InChIInChI=1S/C16H19FN2O2/c17-15-8-12(3-2-6-20)7-13(9-15)10-19-5-1-4-14(11-19)16(18)21/h7-9,14,20H,1,4-6,10-11H2,(H2,18,21)
InChIKeyLWDCTWHTBIANSQ-UHFFFAOYSA-N
XLogP0.87
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-fluoro-5-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 79710520
3-[3-[(3-ethylpiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-ol
CID 79704277
3-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]prop-2-yn-1-ol
CID 79710905
3-[3-fluoro-5-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 106588441
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 79698660
3-[3-[(3-ethylpiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79706970
4-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]-1,4-diazepan-2-one
CID 79710765
3-[3-fluoro-5-[[2-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-ol
CID 79710004
3-[3-fluoro-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 102964533
1-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 175878823
1-[[2-(aminomethyl)-4-pyridinyl]methyl]piperidine-3-carboxamide
CID 63889418
3-[3-[(3-ethoxypiperidin-1-yl)methyl]-5-fluorophenyl]prop-2-yn-1-amine
CID 79697073

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide (CID 79698373) is 1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2cc(F)cc(C#CCO)c2)C1.
What is the InChIKey of 1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is LWDCTWHTBIANSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-15-8-12(3-2-6-20)7-13(9-15)10-19-5-1-4-14(11-19)16(18)21/h7-9,14,20H,1,4-6,10-11H2,(H2,18,21).
What are the key properties of 1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide?
1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-5-(3-hydroxyprop-1-ynyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 79698373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).