N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

C13H22F3N3O — CID 123919640

IUPACN-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C13H22F3N3O/c1-18(9-13(14,15)16)12(20)19-8-2-3-11(19)10-4-6-17-7-5-10/h10-11,17H,2-9H2,1H3
InChIKeyBDXNYVMERBBULU-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.06
Rot. Bonds2

About N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide

N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (PubChem CID 123919640) has the molecular formula C13H22F3N3O and a molecular weight of 293.33 g/mol. Its IUPAC name is N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
PubChem CID123919640
Molecular FormulaC13H22F3N3O
Molecular Weight293.33 g/mol
Exact Mass293.17
IUPAC NameN-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
SMILESCN(CC(F)(F)F)C(=O)N1CCCC1C1CCNCC1
InChIInChI=1S/C13H22F3N3O/c1-18(9-13(14,15)16)12(20)19-8-2-3-11(19)10-4-6-17-7-5-10/h10-11,17H,2-9H2,1H3
InChIKeyBDXNYVMERBBULU-UHFFFAOYSA-N
XLogP2.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine-1-carboxamide
CID 935326
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
N-cyclopentyl-3-(1-methyl-4-piperidyl)-1-pyrrolidinecarboxamide
CID 91921271
1-{2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl}imidazolidin-2-one
CID 56773866
(5R)-N-propan-2-yl-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234965
N-Methyl-4-{1-[(propan-2-YL)carbamoyl]pyrrolidin-3-YL}piperidine-1-carboxamide
CID 91921393
N-(tert-butyl)-4-tetrahydro-1H-pyrrol-3-yltetrahydro-1(2H)-pyridinecarboxamide
CID 110197846
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methylcyclopentyl)urea
CID 56826843
2-cyclobutyl-N-(1-methylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 72023915
2-cyclobutyl-N-(1-ethyl-2-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
CID 84584162
2,2-dimethyl-N-(4,4,4-trifluorobutyl)pyrrolidine-1-carboxamide
CID 121525649
3-[4-(Difluoromethyl)cyclohexyl]-1,1-dimethylurea
CID 126794515

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide (CID 123919640) is N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is CN(CC(F)(F)F)C(=O)N1CCCC1C1CCNCC1.
What is the InChIKey of N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
The InChIKey is BDXNYVMERBBULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O/c1-18(9-13(14,15)16)12(20)19-8-2-3-11(19)10-4-6-17-7-5-10/h10-11,17H,2-9H2,1H3.
What are the key properties of N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide?
N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 123919640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).