N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

C12H21F3N4O — CID 114908963

IUPACN-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN1CCN(NC(=O)C2CCC(C(F)(F)F)CN2)CC1
InChIInChI=1S/C12H21F3N4O/c1-18-4-6-19(7-5-18)17-11(20)10-3-2-9(8-16-10)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,20)
InChIKeyGLSBCELHNTVZHX-UHFFFAOYSA-N
MW294.32 g/mol
LogP0.20
Rot. Bonds2

About N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908963) has the molecular formula C12H21F3N4O and a molecular weight of 294.32 g/mol. Its IUPAC name is N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908963
Molecular FormulaC12H21F3N4O
Molecular Weight294.32 g/mol
Exact Mass294.17
IUPAC NameN-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCN1CCN(NC(=O)C2CCC(C(F)(F)F)CN2)CC1
InChIInChI=1S/C12H21F3N4O/c1-18-4-6-19(7-5-18)17-11(20)10-3-2-9(8-16-10)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,20)
InChIKeyGLSBCELHNTVZHX-UHFFFAOYSA-N
XLogP0.20
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908963) is N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is CN1CCN(NC(=O)C2CCC(C(F)(F)F)CN2)CC1.
What is the InChIKey of N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is GLSBCELHNTVZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N4O/c1-18-4-6-19(7-5-18)17-11(20)10-3-2-9(8-16-10)12(13,14)15/h9-10,16H,2-8H2,1H3,(H,17,20).
What are the key properties of N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).