N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide

C11H20F3N3O — CID 154449962

IUPACN,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-16(2)10(18)17-5-3-9(4-6-17)7-15-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyFHTJOYKGZSHBKX-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.53
Rot. Bonds3

About N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide

N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide (PubChem CID 154449962) has the molecular formula C11H20F3N3O and a molecular weight of 267.29 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide
PubChem CID154449962
Molecular FormulaC11H20F3N3O
Molecular Weight267.29 g/mol
Exact Mass267.16
IUPAC NameN,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3O/c1-16(2)10(18)17-5-3-9(4-6-17)7-15-8-11(12,13)14/h9,15H,3-8H2,1-2H3
InChIKeyFHTJOYKGZSHBKX-UHFFFAOYSA-N
XLogP1.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-piperidinecarboxamide
CID 935326
3-Methyl-1-((piperidin-4-yl)methyl)urea hydrochloride
CID 134691041
N-(2,2-difluoroethyl)-3-methylpiperidine-1-carboxamide
CID 84595795
N-[1,1-bis(trifluoromethyl)propyl]-4-methyl-1-piperidinecarboximidic acid
CID 671812
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)piperidine-1-carboxamide
CID 3473547
1-{2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl}imidazolidin-2-one
CID 56773866
3,3-Dimethyl-1-((1-methylpiperidin-4-yl)methyl)urea
CID 112688391
3,3-Dimethyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 112690170
N-butyl-4-methylpiperidine-1-carboxamide
CID 6467412
Cambridge id 7107424
CID 2926433
N-(tert-butyl)-4-((3-ethylureido)methyl)piperidine-1-carboxamide
CID 49688113
4-(2-Aminoethyl)piperidine-1-carboxamide
CID 21066091

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide (CID 154449962) is N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(CNCC(F)(F)F)CC1.
What is the InChIKey of N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide?
The InChIKey is FHTJOYKGZSHBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O/c1-16(2)10(18)17-5-3-9(4-6-17)7-15-8-11(12,13)14/h9,15H,3-8H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide?
N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2,2,2-trifluoroethylamino)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 154449962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).