tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate

C16H29N3O3 — CID 103759512

IUPACtert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
SMILESCC(=O)N1CCC(NC2CC(NC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C16H29N3O3/c1-11(20)19-7-5-12(6-8-19)17-13-9-14(10-13)18-15(21)22-16(2,3)4/h12-14,17H,5-10H2,1-4H3,(H,18,21)
InChIKeyVJGDGJXUXMCJPO-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.64
Rot. Bonds3

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

tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate (PubChem CID 103759512) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
PubChem CID103759512
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC Nametert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate
SMILESCC(=O)N1CCC(NC2CC(NC(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C16H29N3O3/c1-11(20)19-7-5-12(6-8-19)17-13-9-14(10-13)18-15(21)22-16(2,3)4/h12-14,17H,5-10H2,1-4H3,(H,18,21)
InChIKeyVJGDGJXUXMCJPO-UHFFFAOYSA-N
XLogP1.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
tert-butyl N-[3-(azetidin-3-ylamino)cyclobutyl]carbamate
CID 107239124
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]carbamate
CID 46318296
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[1-[(4S)-2,2-dimethyl-1,3-dioxolane-4-carbonyl]piperidin-4-yl]carbamate
CID 58959909
tert-butyl N-[3-(oxan-3-ylamino)cyclobutyl]carbamate
CID 80562358
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-[(2,3-dimethylcyclopentyl)amino]cyclobutyl]carbamate
CID 80562300
tert-butyl N-[3-[(2-methylcyclohexyl)amino]cyclobutyl]carbamate
CID 80559219

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate (CID 103759512) is tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate is CC(=O)N1CCC(NC2CC(NC(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate?
The InChIKey is VJGDGJXUXMCJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-11(20)19-7-5-12(6-8-19)17-13-9-14(10-13)18-15(21)22-16(2,3)4/h12-14,17H,5-10H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate?
tert-butyl N-[3-[(1-acetylpiperidin-4-yl)amino]cyclobutyl]carbamate has a molecular weight of 311.43 g/mol, XLogP of 1.64, 3 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]cyclobutyl]carbamate is sourced from PubChem (CID 103759512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).