N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C12H16F3N3O — CID 96798607

IUPACN-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nn1cccc1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-17-7-3-10(4-8-17)11(19)16-18-5-1-2-6-18/h1-2,5-6,10H,3-4,7-9H2,(H,16,19)
InChIKeyPHBLSKNYWWOCIJ-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.83
Rot. Bonds3

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

N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 96798607) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID96798607
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC NameN-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nn1cccc1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c13-12(14,15)9-17-7-3-10(4-8-17)11(19)16-18-5-1-2-6-18/h1-2,5-6,10H,3-4,7-9H2,(H,16,19)
InChIKeyPHBLSKNYWWOCIJ-UHFFFAOYSA-N
XLogP1.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-pyrrol-1-ylacetamide
CID 130778264
3-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-3-oxo-N-pyrrol-1-ylpropanamide
CID 163216808
N-pyrrol-1-yl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 79101294
2-amino-3,3,3-trifluoro-2-methyl-N-pyrrol-1-ylpropanamide
CID 79811824
N-(2-pyrrol-1-ylethyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110716286
N-(3-pyrrol-1-ylpropyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110721073
N-[(1-methylpyrrol-3-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110782529
5-amino-N-pyrrol-1-yl-3-(trifluoromethyl)pentanamide
CID 112737879
3,3-difluoro-N-pyrrol-1-ylbutanamide
CID 130685640
3,3,3-trifluoro-N-pyrrol-1-ylpropanamide
CID 130708172
2,2,2-trifluoro-N-pyrrol-1-ylacetamide
CID 130742072
N-pyrrol-1-ylbutanamide
CID 18352167

Frequently Asked Questions

What is the IUPAC name of N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 96798607) is N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(Nn1cccc1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is PHBLSKNYWWOCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c13-12(14,15)9-17-7-3-10(4-8-17)11(19)16-18-5-1-2-6-18/h1-2,5-6,10H,3-4,7-9H2,(H,16,19).
What are the key properties of N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrol-1-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 96798607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).