(2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

C14H22F3N3O2 — CID 143205154

IUPAC(2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCN1CCCC1CCNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C14H22F3N3O2/c1-19-8-2-4-10(19)6-7-18-12(21)11-5-3-9-20(11)13(22)14(15,16)17/h10-11H,2-9H2,1H3,(H,18,21)/t10?,11-/m0/s1
InChIKeyABDXJJBBBCVPRU-DTIOYNMSSA-N
MW321.34 g/mol
LogP1.14
Rot. Bonds4

About (2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide

(2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (PubChem CID 143205154) has the molecular formula C14H22F3N3O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is (2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
PubChem CID143205154
Molecular FormulaC14H22F3N3O2
Molecular Weight321.34 g/mol
Exact Mass321.17
IUPAC Name(2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
SMILESCN1CCCC1CCNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F
InChIInChI=1S/C14H22F3N3O2/c1-19-8-2-4-10(19)6-7-18-12(21)11-5-3-9-20(11)13(22)14(15,16)17/h10-11H,2-9H2,1H3,(H,18,21)/t10?,11-/m0/s1
InChIKeyABDXJJBBBCVPRU-DTIOYNMSSA-N
XLogP1.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide (CID 143205154) is (2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is CN1CCCC1CCNC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F.
What is the InChIKey of (2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
The InChIKey is ABDXJJBBBCVPRU-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H22F3N3O2/c1-19-8-2-4-10(19)6-7-18-12(21)11-5-3-9-20(11)13(22)14(15,16)17/h10-11H,2-9H2,1H3,(H,18,21)/t10?,11-/m0/s1.
What are the key properties of (2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide?
(2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 143205154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).