N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide

C13H24FN3O — CID 135177533

IUPACN-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide
SMILESCCN1CCC(NC(=O)N2CCCC(F)C2)CC1
InChIInChI=1S/C13H24FN3O/c1-2-16-8-5-12(6-9-16)15-13(18)17-7-3-4-11(14)10-17/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyWHFOEKVOYFGTTC-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.61
Rot. Bonds2

About N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide

N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide (PubChem CID 135177533) has the molecular formula C13H24FN3O and a molecular weight of 257.35 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide
PubChem CID135177533
Molecular FormulaC13H24FN3O
Molecular Weight257.35 g/mol
Exact Mass257.19
IUPAC NameN-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide
SMILESCCN1CCC(NC(=O)N2CCCC(F)C2)CC1
InChIInChI=1S/C13H24FN3O/c1-2-16-8-5-12(6-9-16)15-13(18)17-7-3-4-11(14)10-17/h11-12H,2-10H2,1H3,(H,15,18)
InChIKeyWHFOEKVOYFGTTC-UHFFFAOYSA-N
XLogP1.61
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide?
The IUPAC name of N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide (CID 135177533) is N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide.
What is the SMILES notation for N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide?
The canonical SMILES for N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide is CCN1CCC(NC(=O)N2CCCC(F)C2)CC1.
What is the InChIKey of N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide?
The InChIKey is WHFOEKVOYFGTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FN3O/c1-2-16-8-5-12(6-9-16)15-13(18)17-7-3-4-11(14)10-17/h11-12H,2-10H2,1H3,(H,15,18).
What are the key properties of N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide?
N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide has a molecular weight of 257.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide is sourced from PubChem (CID 135177533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).