3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

C12H21F3N2O — CID 116655130

IUPAC3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)N1CCCC(C)C1
InChIInChI=1S/C12H21F3N2O/c1-3-6-17(9-12(13,14)15)11(18)16-7-4-5-10(2)8-16/h10H,3-9H2,1-2H3
InChIKeyYCMNEIDEIASXRJ-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.11
Rot. Bonds3

About 3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide

3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (PubChem CID 116655130) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
PubChem CID116655130
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)N1CCCC(C)C1
InChIInChI=1S/C12H21F3N2O/c1-3-6-17(9-12(13,14)15)11(18)16-7-4-5-10(2)8-16/h10H,3-9H2,1-2H3
InChIKeyYCMNEIDEIASXRJ-UHFFFAOYSA-N
XLogP3.11
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55009567
2-[1-[propyl(2,2,2-trifluoroethyl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116683169
N-(2-hydroxyethyl)-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 107479096
N-(2-aminoethyl)-N-butyl-3-methylpiperidine-1-carboxamide
CID 79162694
N,N-bis(cyclopropylmethyl)-3-methylpiperidine-1-carboxamide
CID 116656196
(3R)-1-(dipropylcarbamoyl)piperidine-3-carboxylic acid
CID 28512445
N,N-bis(2-amino-2-oxoethyl)-3-methylpiperidine-1-carboxamide
CID 116655745
N,3-dimethyl-N-pentan-2-ylpiperidine-1-carboxamide
CID 116654337
2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]propanoic acid
CID 119923258
methyl 3-[ethyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162855
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257704
2-[3-hydroxypropyl(2,2,2-trifluoroethyl)amino]-1-(3-methylpiperidin-1-yl)ethanone
CID 111110103

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide (CID 116655130) is 3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is CCCN(CC(F)(F)F)C(=O)N1CCCC(C)C1.
What is the InChIKey of 3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
The InChIKey is YCMNEIDEIASXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-3-6-17(9-12(13,14)15)11(18)16-7-4-5-10(2)8-16/h10H,3-9H2,1-2H3.
What are the key properties of 3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide?
3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propyl-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide is sourced from PubChem (CID 116655130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).