N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide

C12H22FN3O — CID 123349275

IUPACN-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCF)N1CCCC1C1CCNCC1
InChIInChI=1S/C12H22FN3O/c13-5-8-15-12(17)16-9-1-2-11(16)10-3-6-14-7-4-10/h10-11,14H,1-9H2,(H,15,17)
InChIKeyQCVXFCGSGRCZMS-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.13
Rot. Bonds3

About N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide

N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide (PubChem CID 123349275) has the molecular formula C12H22FN3O and a molecular weight of 243.33 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide
PubChem CID123349275
Molecular FormulaC12H22FN3O
Molecular Weight243.33 g/mol
Exact Mass243.17
IUPAC NameN-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide
SMILESO=C(NCCF)N1CCCC1C1CCNCC1
InChIInChI=1S/C12H22FN3O/c13-5-8-15-12(17)16-9-1-2-11(16)10-3-6-14-7-4-10/h10-11,14H,1-9H2,(H,15,17)
InChIKeyQCVXFCGSGRCZMS-UHFFFAOYSA-N
XLogP1.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide (CID 123349275) is N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide is O=C(NCCF)N1CCCC1C1CCNCC1.
What is the InChIKey of N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is QCVXFCGSGRCZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FN3O/c13-5-8-15-12(17)16-9-1-2-11(16)10-3-6-14-7-4-10/h10-11,14H,1-9H2,(H,15,17).
What are the key properties of N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide?
N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 243.33 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-piperidin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 123349275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).