[1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate

C17H27F2N3O3 — CID 175528009

IUPAC[1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate
SMILESNC(=O)OC(C(=O)N1CCC(N2CC(F)(F)C2)CC1)C1CCCCC1
InChIInChI=1S/C17H27F2N3O3/c18-17(19)10-22(11-17)13-6-8-21(9-7-13)15(23)14(25-16(20)24)12-4-2-1-3-5-12/h12-14H,1-11H2,(H2,20,24)
InChIKeyGPYJMBLBJQVZCC-UHFFFAOYSA-N
MW359.42 g/mol
LogP1.97
Rot. Bonds4

About [1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate

[1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate (PubChem CID 175528009) has the molecular formula C17H27F2N3O3 and a molecular weight of 359.42 g/mol. Its IUPAC name is [1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate.

Molecular Properties

Compound Name[1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate
PubChem CID175528009
Molecular FormulaC17H27F2N3O3
Molecular Weight359.42 g/mol
Exact Mass359.20
IUPAC Name[1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate
SMILESNC(=O)OC(C(=O)N1CCC(N2CC(F)(F)C2)CC1)C1CCCCC1
InChIInChI=1S/C17H27F2N3O3/c18-17(19)10-22(11-17)13-6-8-21(9-7-13)15(23)14(25-16(20)24)12-4-2-1-3-5-12/h12-14H,1-11H2,(H2,20,24)
InChIKeyGPYJMBLBJQVZCC-UHFFFAOYSA-N
XLogP1.97
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] N-[(1S)-1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl]carbamate;hydrochloride
CID 174209943
4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
CID 126519345
[(1S)-1-cyclohexyl-3-iodo-2-oxopropyl] carbamate
CID 175397149
2-amino-2-cyclohexyl-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 10106678
[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175284066
2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
fluoro 4-(3,3-difluoropiperidin-1-yl)piperidine-1-carboxylate
CID 177326834
4-[[(1S)-1-cyclopentylethyl]amino]piperidine-1-carboxamide
CID 81386220
[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174732113
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) carbamate
CID 70335727

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate?
The IUPAC name of [1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate (CID 175528009) is [1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate.
What is the SMILES notation for [1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate?
The canonical SMILES for [1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate is NC(=O)OC(C(=O)N1CCC(N2CC(F)(F)C2)CC1)C1CCCCC1.
What is the InChIKey of [1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate?
The InChIKey is GPYJMBLBJQVZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2N3O3/c18-17(19)10-22(11-17)13-6-8-21(9-7-13)15(23)14(25-16(20)24)12-4-2-1-3-5-12/h12-14H,1-11H2,(H2,20,24).
What are the key properties of [1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate?
[1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate has a molecular weight of 359.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-2-[4-(3,3-difluoroazetidin-1-yl)piperidin-1-yl]-2-oxoethyl] carbamate is sourced from PubChem (CID 175528009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).