N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide

C14H25F3N2O — CID 114908717

IUPACN-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H25F3N2O/c1-3-4-5-6-10(2)19-13(20)12-8-7-11(9-18-12)14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyXNHBLDMGAAORTP-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.00
Rot. Bonds6

About N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide

N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908717) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908717
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCCCCC(C)NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H25F3N2O/c1-3-4-5-6-10(2)19-13(20)12-8-7-11(9-18-12)14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20)
InChIKeyXNHBLDMGAAORTP-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908717) is N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide is CCCCCC(C)NC(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is XNHBLDMGAAORTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-3-4-5-6-10(2)19-13(20)12-8-7-11(9-18-12)14(15,16)17/h10-12,18H,3-9H2,1-2H3,(H,19,20).
What are the key properties of N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide?
N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).