tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate

C15H27F2N3O3 — CID 104953969

IUPACtert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
SMILESCC(=O)N1CCC(NCC(F)(F)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27F2N3O3/c1-11(21)20-7-5-12(6-8-20)18-9-15(16,17)10-19-13(22)23-14(2,3)4/h12,18H,5-10H2,1-4H3,(H,19,22)
InChIKeyMQEUDYOZWWEXBZ-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.75
Rot. Bonds5

About tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate

tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate (PubChem CID 104953969) has the molecular formula C15H27F2N3O3 and a molecular weight of 335.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
PubChem CID104953969
Molecular FormulaC15H27F2N3O3
Molecular Weight335.40 g/mol
Exact Mass335.20
IUPAC Nametert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate
SMILESCC(=O)N1CCC(NCC(F)(F)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H27F2N3O3/c1-11(21)20-7-5-12(6-8-20)18-9-15(16,17)10-19-13(22)23-14(2,3)4/h12,18H,5-10H2,1-4H3,(H,19,22)
InChIKeyMQEUDYOZWWEXBZ-UHFFFAOYSA-N
XLogP1.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(cycloheptylamino)-2,2-difluoropropyl]carbamate
CID 107257366
tert-butyl N-[2,2-difluoro-3-[(1-prop-2-ynylpiperidin-4-yl)amino]propyl]carbamate
CID 104955545
tert-butyl N-[2,2-difluoro-3-[(4-methylcycloheptyl)amino]propyl]carbamate
CID 107257414
tert-butyl N-[3-[(3-aminocyclopentyl)amino]-2,2-difluoropropyl]carbamate
CID 107257482
tert-butyl 4-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate;hydrochloride
CID 56965527
tert-butyl N-[2,2-difluoro-3-[(3-methylcyclohexyl)amino]propyl]carbamate
CID 107257517
tert-butyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43652168
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl N-[3-(1-cyclohexylethylamino)-2,2-difluoropropyl]carbamate
CID 107257467
methyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]piperidine-1-carboxylate
CID 108558897
tert-butyl N-[2-[(1-acetylpiperidin-4-yl)amino]-1-cyclopropylethyl]carbamate
CID 103872239
1-[4-(2,2,3,3-tetrafluoropropylamino)piperidin-1-yl]ethanone
CID 103529328

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate (CID 104953969) is tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate is CC(=O)N1CCC(NCC(F)(F)CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate?
The InChIKey is MQEUDYOZWWEXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F2N3O3/c1-11(21)20-7-5-12(6-8-20)18-9-15(16,17)10-19-13(22)23-14(2,3)4/h12,18H,5-10H2,1-4H3,(H,19,22).
What are the key properties of tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate?
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate has a molecular weight of 335.40 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]-2,2-difluoropropyl]carbamate is sourced from PubChem (CID 104953969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).