N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide

C11H20F2N2O — CID 115406882

IUPACN-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCC(F)F)CCCNC1
InChIInChI=1S/C11H20F2N2O/c1-2-4-11(5-3-6-14-8-11)10(16)15-7-9(12)13/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeySAWBJYXNNCPFRU-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.54
Rot. Bonds5

About N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide

N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide (PubChem CID 115406882) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
PubChem CID115406882
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC NameN-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCC(F)F)CCCNC1
InChIInChI=1S/C11H20F2N2O/c1-2-4-11(5-3-6-14-8-11)10(16)15-7-9(12)13/h9,14H,2-8H2,1H3,(H,15,16)
InChIKeySAWBJYXNNCPFRU-UHFFFAOYSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
CID 83109256
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
N-(2-hydroxy-2-thiophen-3-ylethyl)-3-propylpiperidine-3-carboxamide
CID 106435467
N-(4-hydroxypentan-2-yl)-3-propylpiperidine-3-carboxamide
CID 113376268
3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 83142761
N-(2-ethoxy-2-methylpropyl)-3-propylpiperidine-3-carboxamide
CID 114942373
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide (CID 115406882) is N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCC(F)F)CCCNC1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide?
The InChIKey is SAWBJYXNNCPFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-2-4-11(5-3-6-14-8-11)10(16)15-7-9(12)13/h9,14H,2-8H2,1H3,(H,15,16).
What are the key properties of N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide?
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide has a molecular weight of 234.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 115406882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).