N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane

C10H19F2N3O2 — CID 142404443

IUPACN-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane
SMILESCC.CN1CCC(C(=O)NC(N)=O)C(F)(F)C1
InChIInChI=1S/C8H13F2N3O2.C2H6/c1-13-3-2-5(8(9,10)4-13)6(14)12-7(11)15;1-2/h5H,2-4H2,1H3,(H3,11,12,14,15);1-2H3
InChIKeyXUOSONOUOVKGHV-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.79
Rot. Bonds1

About N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane

N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane (PubChem CID 142404443) has the molecular formula C10H19F2N3O2 and a molecular weight of 251.28 g/mol. Its IUPAC name is N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane.

Molecular Properties

Compound NameN-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane
PubChem CID142404443
Molecular FormulaC10H19F2N3O2
Molecular Weight251.28 g/mol
Exact Mass251.14
IUPAC NameN-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane
SMILESCC.CN1CCC(C(=O)NC(N)=O)C(F)(F)C1
InChIInChI=1S/C8H13F2N3O2.C2H6/c1-13-3-2-5(8(9,10)4-13)6(14)12-7(11)15;1-2/h5H,2-4H2,1H3,(H3,11,12,14,15);1-2H3
InChIKeyXUOSONOUOVKGHV-UHFFFAOYSA-N
XLogP0.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane;molecular hydrogen
CID 176945899
ethane;N,1,3,3-tetramethylpiperidine-4-carboxamide
CID 166075526
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
3,3-difluoro-1,4-dimethylpiperidine
CID 23395561
3,3-difluoro-1,4-dimethylpiperidine;ethane
CID 143933716
2-[(3,3-difluoro-1-methylpiperidin-4-yl)methylsulfanyl]acetic acid
CID 142350707
[(1-methylpiperidine-4-carbonyl)amino]thiourea
CID 45097493
1-(1-methylpiperidin-4-yl)ethylurea
CID 126990260
(4S)-4-ethyl-3,3-difluoro-1-methylpiperidine
CID 178161394
methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
CID 137450691
1-(3,3-difluoro-1-methylpiperidin-4-yl)-4-methylpiperazine;ethane
CID 170578014

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane?
The IUPAC name of N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane (CID 142404443) is N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane.
What is the SMILES notation for N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane?
The canonical SMILES for N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane is CC.CN1CCC(C(=O)NC(N)=O)C(F)(F)C1.
What is the InChIKey of N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane?
The InChIKey is XUOSONOUOVKGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O2.C2H6/c1-13-3-2-5(8(9,10)4-13)6(14)12-7(11)15;1-2/h5H,2-4H2,1H3,(H3,11,12,14,15);1-2H3.
What are the key properties of N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane?
N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane has a molecular weight of 251.28 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3,3-difluoro-1-methylpiperidine-4-carboxamide;ethane is sourced from PubChem (CID 142404443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).