(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

C13H24FN3O — CID 118303120

IUPAC(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCN1CCC([C@@H]2CCCN2C(=O)NCCF)CC1
InChIInChI=1S/C13H24FN3O/c1-16-9-4-11(5-10-16)12-3-2-8-17(12)13(18)15-7-6-14/h11-12H,2-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeySYCFAFIUTRPWCG-LBPRGKRZSA-N
MW257.35 g/mol
LogP1.47
Rot. Bonds3

About (2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 118303120) has the molecular formula C13H24FN3O and a molecular weight of 257.35 g/mol. Its IUPAC name is (2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID118303120
Molecular FormulaC13H24FN3O
Molecular Weight257.35 g/mol
Exact Mass257.19
IUPAC Name(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCN1CCC([C@@H]2CCCN2C(=O)NCCF)CC1
InChIInChI=1S/C13H24FN3O/c1-16-9-4-11(5-10-16)12-3-2-8-17(12)13(18)15-7-6-14/h11-12H,2-10H2,1H3,(H,15,18)/t12-/m0/s1
InChIKeySYCFAFIUTRPWCG-LBPRGKRZSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 118303120) is (2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is CN1CCC([C@@H]2CCCN2C(=O)NCCF)CC1.
What is the InChIKey of (2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is SYCFAFIUTRPWCG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24FN3O/c1-16-9-4-11(5-10-16)12-3-2-8-17(12)13(18)15-7-6-14/h11-12H,2-10H2,1H3,(H,15,18)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
(2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 257.35 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-fluoroethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118303120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).