(3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide

C17H30F3N3O — CID 124864633

IUPAC(3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCN(C)CC1(CNC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CCCC1
InChIInChI=1S/C17H30F3N3O/c1-15(2)13(17(18,19)20)7-10-23(15)14(24)21-11-16(12-22(3)4)8-5-6-9-16/h13H,5-12H2,1-4H3,(H,21,24)/t13-/m0/s1
InChIKeyZJHHDLUCETXYJH-ZDUSSCGKSA-N
MW349.44 g/mol
LogP3.48
Rot. Bonds4

About (3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide

(3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide (PubChem CID 124864633) has the molecular formula C17H30F3N3O and a molecular weight of 349.44 g/mol. Its IUPAC name is (3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
PubChem CID124864633
Molecular FormulaC17H30F3N3O
Molecular Weight349.44 g/mol
Exact Mass349.23
IUPAC Name(3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide
SMILESCN(C)CC1(CNC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CCCC1
InChIInChI=1S/C17H30F3N3O/c1-15(2)13(17(18,19)20)7-10-23(15)14(24)21-11-16(12-22(3)4)8-5-6-9-16/h13H,5-12H2,1-4H3,(H,21,24)/t13-/m0/s1
InChIKeyZJHHDLUCETXYJH-ZDUSSCGKSA-N
XLogP3.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide (CID 124864633) is (3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide is CN(C)CC1(CNC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)CCCC1.
What is the InChIKey of (3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
The InChIKey is ZJHHDLUCETXYJH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H30F3N3O/c1-15(2)13(17(18,19)20)7-10-23(15)14(24)21-11-16(12-22(3)4)8-5-6-9-16/h13H,5-12H2,1-4H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide?
(3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 124864633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).