N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide

C10H17F3N2O — CID 115661011

IUPACN-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-7(2)14-9(16)15-5-3-8(4-6-15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyIRMWMHOXBICWOZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.38
Rot. Bonds1

About N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide

N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 115661011) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID115661011
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCC(C)NC(=O)N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-7(2)14-9(16)15-5-3-8(4-6-15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyIRMWMHOXBICWOZ-UHFFFAOYSA-N
XLogP2.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide (CID 115661011) is N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide is CC(C)NC(=O)N1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is IRMWMHOXBICWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-7(2)14-9(16)15-5-3-8(4-6-15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide?
N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 115661011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).