N-(3-fluoro-1-methylpiperidin-4-yl)formamide

C7H13FN2O — CID 162526980

IUPACN-(3-fluoro-1-methylpiperidin-4-yl)formamide
SMILESCN1CCC(NC=O)C(F)C1
InChIInChI=1S/C7H13FN2O/c1-10-3-2-7(9-5-11)6(8)4-10/h5-7H,2-4H2,1H3,(H,9,11)
InChIKeyFVJCRHKHMKAEOE-UHFFFAOYSA-N
MW160.19 g/mol
LogP-0.23
Rot. Bonds2

About N-(3-fluoro-1-methylpiperidin-4-yl)formamide

N-(3-fluoro-1-methylpiperidin-4-yl)formamide (PubChem CID 162526980) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is N-(3-fluoro-1-methylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-(3-fluoro-1-methylpiperidin-4-yl)formamide
PubChem CID162526980
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC NameN-(3-fluoro-1-methylpiperidin-4-yl)formamide
SMILESCN1CCC(NC=O)C(F)C1
InChIInChI=1S/C7H13FN2O/c1-10-3-2-7(9-5-11)6(8)4-10/h5-7H,2-4H2,1H3,(H,9,11)
InChIKeyFVJCRHKHMKAEOE-UHFFFAOYSA-N
XLogP-0.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-1-methylpiperidin-4-yl)formamide?
The IUPAC name of N-(3-fluoro-1-methylpiperidin-4-yl)formamide (CID 162526980) is N-(3-fluoro-1-methylpiperidin-4-yl)formamide.
What is the SMILES notation for N-(3-fluoro-1-methylpiperidin-4-yl)formamide?
The canonical SMILES for N-(3-fluoro-1-methylpiperidin-4-yl)formamide is CN1CCC(NC=O)C(F)C1.
What is the InChIKey of N-(3-fluoro-1-methylpiperidin-4-yl)formamide?
The InChIKey is FVJCRHKHMKAEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2O/c1-10-3-2-7(9-5-11)6(8)4-10/h5-7H,2-4H2,1H3,(H,9,11).
What are the key properties of N-(3-fluoro-1-methylpiperidin-4-yl)formamide?
N-(3-fluoro-1-methylpiperidin-4-yl)formamide has a molecular weight of 160.19 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-1-methylpiperidin-4-yl)formamide is sourced from PubChem (CID 162526980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).