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

C11H19F3N2O — CID 54595659

IUPACN-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCNC1
InChIInChI=1S/C11H19F3N2O/c1-2-6-16(8-11(12,13)14)10(17)9-4-3-5-15-7-9/h9,15H,2-8H2,1H3
InChIKeyUYQPLYOAIDJVSC-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds4

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

N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 54595659) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID54595659
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCCN(CC(F)(F)F)C(=O)C1CCCNC1
InChIInChI=1S/C11H19F3N2O/c1-2-6-16(8-11(12,13)14)10(17)9-4-3-5-15-7-9/h9,15H,2-8H2,1H3
InChIKeyUYQPLYOAIDJVSC-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethylpiperidine-3-carboxamide
CID 18793
N~1~-propylpiperidine-1,3-dicarboxamide
CID 2952083
(Piperidin-3-yl)(pyrrolidin-1-yl)methanone
CID 2794682
N-(2-(dimethylamino)ethyl)-2-oxopiperidine-3-carboxamide
CID 3623770
Ketone, piperidino 3-piperidyl
CID 218422
1-decyl-N-ethylpiperidine-3-carboxamide
CID 20208772
N-(piperidin-3-ylmethyl)butanamide
CID 20116299
(3S)-N-Methylpiperidine-3-carboxamide
CID 7175807
5-(Trifluoromethyl)piperidin-2-one
CID 16228088
3-(Trifluoromethyl)piperidin-2-one
CID 42944935
3-(Pyrrolidine-1-carbonyl)piperidine hydrochloride
CID 50944469
N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide hydrochloride
CID 54595524

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 54595659) is N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCCN(CC(F)(F)F)C(=O)C1CCCNC1.
What is the InChIKey of N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is UYQPLYOAIDJVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-6-16(8-11(12,13)14)10(17)9-4-3-5-15-7-9/h9,15H,2-8H2,1H3.
What are the key properties of N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 54595659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).