N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide

C13H14F3N3O2 — CID 108892600

IUPACN-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide
SMILESO=C(NC(=O)C1CCNCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3O2/c14-8-1-2-9(11(16)10(8)15)18-13(21)19-12(20)7-3-5-17-6-4-7/h1-2,7,17H,3-6H2,(H2,18,19,20,21)
InChIKeyIAHRXMNOKIKYFA-UHFFFAOYSA-N
MW301.27 g/mol
LogP1.75
Rot. Bonds2

About N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide

N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide (PubChem CID 108892600) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide
PubChem CID108892600
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC NameN-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide
SMILESO=C(NC(=O)C1CCNCC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H14F3N3O2/c14-8-1-2-9(11(16)10(8)15)18-13(21)19-12(20)7-3-5-17-6-4-7/h1-2,7,17H,3-6H2,(H2,18,19,20,21)
InChIKeyIAHRXMNOKIKYFA-UHFFFAOYSA-N
XLogP1.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide (CID 108892600) is N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide is O=C(NC(=O)C1CCNCC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide?
The InChIKey is IAHRXMNOKIKYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c14-8-1-2-9(11(16)10(8)15)18-13(21)19-12(20)7-3-5-17-6-4-7/h1-2,7,17H,3-6H2,(H2,18,19,20,21).
What are the key properties of N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide?
N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3,4-trifluorophenyl)carbamoyl]piperidine-4-carboxamide is sourced from PubChem (CID 108892600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).