[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate

C10H16F2N2O4 — CID 175187949

IUPAC[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
SMILESC[C@@H](OC(N)=O)C(=O)N1CCCC(OC(F)F)C1
InChIInChI=1S/C10H16F2N2O4/c1-6(17-10(13)16)8(15)14-4-2-3-7(5-14)18-9(11)12/h6-7,9H,2-5H2,1H3,(H2,13,16)/t6-,7?/m1/s1
InChIKeyGLWXDBBMPFTNAM-ULUSZKPHSA-N
MW266.24 g/mol
LogP0.70
Rot. Bonds4

About [(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate

[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate (PubChem CID 175187949) has the molecular formula C10H16F2N2O4 and a molecular weight of 266.24 g/mol. Its IUPAC name is [(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
PubChem CID175187949
Molecular FormulaC10H16F2N2O4
Molecular Weight266.24 g/mol
Exact Mass266.11
IUPAC Name[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
SMILESC[C@@H](OC(N)=O)C(=O)N1CCCC(OC(F)F)C1
InChIInChI=1S/C10H16F2N2O4/c1-6(17-10(13)16)8(15)14-4-2-3-7(5-14)18-9(11)12/h6-7,9H,2-5H2,1H3,(H2,13,16)/t6-,7?/m1/s1
InChIKeyGLWXDBBMPFTNAM-ULUSZKPHSA-N
XLogP0.70
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 175188195
[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175284066
[(2R)-1-[(2S)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175179046
2-amino-1-(3-propan-2-yloxypiperidin-1-yl)ethanone
CID 84755438
2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
(2S)-2-amino-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129499730
1-(3-fluoropiperidin-1-yl)-2-methoxypropan-1-one
CID 164659441
(2S)-2-chloro-1-[(3S)-3-methoxypiperidin-1-yl]propan-1-one
CID 129410228
ethane;2-methyl-1-[3-(2,2,2-trifluoroethoxy)piperidin-1-yl]propan-1-one
CID 145287436
2-amino-1-(3-methoxypiperidin-1-yl)-3-methylpentan-1-one;hydrochloride
CID 119729761
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423
(2S)-2-amino-1-[(3R)-3-fluoropiperidin-1-yl]propan-1-one
CID 129493259

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate?
The IUPAC name of [(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate (CID 175187949) is [(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate.
What is the SMILES notation for [(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate?
The canonical SMILES for [(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate is C[C@@H](OC(N)=O)C(=O)N1CCCC(OC(F)F)C1.
What is the InChIKey of [(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate?
The InChIKey is GLWXDBBMPFTNAM-ULUSZKPHSA-N. The full InChI is InChI=1S/C10H16F2N2O4/c1-6(17-10(13)16)8(15)14-4-2-3-7(5-14)18-9(11)12/h6-7,9H,2-5H2,1H3,(H2,13,16)/t6-,7?/m1/s1.
What are the key properties of [(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate?
[(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate has a molecular weight of 266.24 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-(difluoromethoxy)piperidin-1-yl]-1-oxopropan-2-yl] carbamate is sourced from PubChem (CID 175187949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).