4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide

C13H23F3N2O — CID 177032513

IUPAC4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1(C(C)(F)F)CCN(CC(C)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-4-17-11(19)13(12(3,15)16)5-7-18(8-6-13)9-10(2)14/h10H,4-9H2,1-3H3,(H,17,19)
InChIKeyCXARDLFEJZKQTC-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.22
Rot. Bonds5

About 4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide

4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide (PubChem CID 177032513) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide
PubChem CID177032513
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide
SMILESCCNC(=O)C1(C(C)(F)F)CCN(CC(C)F)CC1
InChIInChI=1S/C13H23F3N2O/c1-4-17-11(19)13(12(3,15)16)5-7-18(8-6-13)9-10(2)14/h10H,4-9H2,1-3H3,(H,17,19)
InChIKeyCXARDLFEJZKQTC-UHFFFAOYSA-N
XLogP2.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide
CID 170588040
ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164556022
1-(2,2-difluoroethyl)-4-(trifluoromethyl)piperidine-4-carboxamide
CID 170587760
2-(3,3-difluoropyrrolidin-1-yl)-N-ethylacetamide
CID 130666924
N-ethyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 115569927
1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide
CID 166548312
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
N-ethyl-1-fluorocyclopropane-1-carboxamide;molecular hydrogen
CID 176683431
N-ethyl-1-propan-2-ylcyclohexane-1-carboxamide
CID 3016622
ethyl 2,2-difluoro-2-[4-hydroxy-1-(2-methylpropyl)piperidin-4-yl]acetate
CID 114079444
N-ethyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanamide
CID 61473966
ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 81097454

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide?
The IUPAC name of 4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide (CID 177032513) is 4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide?
The canonical SMILES for 4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide is CCNC(=O)C1(C(C)(F)F)CCN(CC(C)F)CC1.
What is the InChIKey of 4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide?
The InChIKey is CXARDLFEJZKQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-4-17-11(19)13(12(3,15)16)5-7-18(8-6-13)9-10(2)14/h10H,4-9H2,1-3H3,(H,17,19).
What are the key properties of 4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide?
4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-N-ethyl-1-(2-fluoropropyl)piperidine-4-carboxamide is sourced from PubChem (CID 177032513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).