N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide

C15H19F3N2O — CID 121446695

IUPACN,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)N(C)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C15H19F3N2O/c1-10-5-3-4-6-20(10)15(21)19(2)9-11-7-12(16)8-13(17)14(11)18/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMZJOGQBDNKOCDM-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.53
Rot. Bonds2

About N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide

N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide (PubChem CID 121446695) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide
PubChem CID121446695
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide
SMILESCC1CCCCN1C(=O)N(C)Cc1cc(F)cc(F)c1F
InChIInChI=1S/C15H19F3N2O/c1-10-5-3-4-6-20(10)15(21)19(2)9-11-7-12(16)8-13(17)14(11)18/h7-8,10H,3-6,9H2,1-2H3
InChIKeyMZJOGQBDNKOCDM-UHFFFAOYSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide (CID 121446695) is N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide is CC1CCCCN1C(=O)N(C)Cc1cc(F)cc(F)c1F.
What is the InChIKey of N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide?
The InChIKey is MZJOGQBDNKOCDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-10-5-3-4-6-20(10)15(21)19(2)9-11-7-12(16)8-13(17)14(11)18/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide?
N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 121446695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).