1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C12H21F3N2O — CID 51077761

IUPAC1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-9(2)7-17-5-3-10(4-6-17)11(18)16-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyCDTRDHADAYFGEL-UHFFFAOYSA-N
MW266.31 g/mol
LogP2.03
Rot. Bonds4

About 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 51077761) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID51077761
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCC(C)CN1CCC(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H21F3N2O/c1-9(2)7-17-5-3-10(4-6-17)11(18)16-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18)
InChIKeyCDTRDHADAYFGEL-UHFFFAOYSA-N
XLogP2.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 51077761) is 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CC(C)CN1CCC(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is CDTRDHADAYFGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-9(2)7-17-5-3-10(4-6-17)11(18)16-8-12(13,14)15/h9-10H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 266.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 51077761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).