N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C14H24F3N3O — CID 47939374

IUPACN-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCN(CCNC(=O)C1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C14H24F3N3O/c1-19(12-2-3-12)9-6-18-13(21)11-4-7-20(8-5-11)10-14(15,16)17/h11-12H,2-10H2,1H3,(H,18,21)
InChIKeyQAHPSAFPQGAHNP-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.47
Rot. Bonds6

About N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 47939374) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID47939374
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC NameN-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESCN(CCNC(=O)C1CCN(CC(F)(F)F)CC1)C1CC1
InChIInChI=1S/C14H24F3N3O/c1-19(12-2-3-12)9-6-18-13(21)11-4-7-20(8-5-11)10-14(15,16)17/h11-12H,2-10H2,1H3,(H,18,21)
InChIKeyQAHPSAFPQGAHNP-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 47939374) is N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is CN(CCNC(=O)C1CCN(CC(F)(F)F)CC1)C1CC1.
What is the InChIKey of N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is QAHPSAFPQGAHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c1-19(12-2-3-12)9-6-18-13(21)11-4-7-20(8-5-11)10-14(15,16)17/h11-12H,2-10H2,1H3,(H,18,21).
What are the key properties of N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropyl(methyl)amino]ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 47939374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).