N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide

C18H25F3N4O2 — CID 129333080

IUPACN,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@@H]2CCCCN2[C@@H]2CCN(CC(F)(F)F)C2=O)n1C
InChIInChI=1S/C18H25F3N4O2/c1-22-16(26)14-7-6-12(23(14)2)13-5-3-4-9-25(13)15-8-10-24(17(15)27)11-18(19,20)21/h6-7,13,15H,3-5,8-11H2,1-2H3,(H,22,26)/t13-,15+/m0/s1
InChIKeyFCTPWNHMROEKPP-DZGCQCFKSA-N
MW386.42 g/mol
LogP2.07
Rot. Bonds4

About N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide

N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide (PubChem CID 129333080) has the molecular formula C18H25F3N4O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide
PubChem CID129333080
Molecular FormulaC18H25F3N4O2
Molecular Weight386.42 g/mol
Exact Mass386.19
IUPAC NameN,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide
SMILESCNC(=O)c1ccc([C@@H]2CCCCN2[C@@H]2CCN(CC(F)(F)F)C2=O)n1C
InChIInChI=1S/C18H25F3N4O2/c1-22-16(26)14-7-6-12(23(14)2)13-5-3-4-9-25(13)15-8-10-24(17(15)27)11-18(19,20)21/h6-7,13,15H,3-5,8-11H2,1-2H3,(H,22,26)/t13-,15+/m0/s1
InChIKeyFCTPWNHMROEKPP-DZGCQCFKSA-N
XLogP2.07
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide?
The IUPAC name of N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide (CID 129333080) is N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide.
What is the SMILES notation for N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide?
The canonical SMILES for N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide is CNC(=O)c1ccc([C@@H]2CCCCN2[C@@H]2CCN(CC(F)(F)F)C2=O)n1C.
What is the InChIKey of N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide?
The InChIKey is FCTPWNHMROEKPP-DZGCQCFKSA-N. The full InChI is InChI=1S/C18H25F3N4O2/c1-22-16(26)14-7-6-12(23(14)2)13-5-3-4-9-25(13)15-8-10-24(17(15)27)11-18(19,20)21/h6-7,13,15H,3-5,8-11H2,1-2H3,(H,22,26)/t13-,15+/m0/s1.
What are the key properties of N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide?
N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide has a molecular weight of 386.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-5-[(2S)-1-[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-2-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 129333080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).