tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate

C15H28N2O3 — CID 24689282

IUPACtert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
SMILESCC1CC(C)CN(C(=O)CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11-8-12(2)10-17(9-11)13(18)6-7-16-14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)
InChIKeyNMHBOLLYNYHIHK-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.41
Rot. Bonds3

About tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate

tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate (PubChem CID 24689282) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
PubChem CID24689282
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
SMILESCC1CC(C)CN(C(=O)CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-11-8-12(2)10-17(9-11)13(18)6-7-16-14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19)
InChIKeyNMHBOLLYNYHIHK-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
ethyl N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-oxopropyl]carbamate
CID 94159427
tert-butyl 4-(3,5-dimethylpiperidin-1-yl)-4-oxobutanoate
CID 106706964
tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate
CID 68742391
tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 172590820
tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate
CID 47736405
tert-butyl N-[3-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 108918937
tert-butyl N-[3-[4-(3-methylbut-2-enoyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 108918938
tert-butyl N-[3-(2-azabicyclo[2.2.1]heptan-2-yl)-3-oxopropyl]carbamate
CID 61072270
tert-butyl N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 55452043
tert-butyl N-[3-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 55734190
tert-butyl N-[3-[4-(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 108532932

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate (CID 24689282) is tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate is CC1CC(C)CN(C(=O)CCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate?
The InChIKey is NMHBOLLYNYHIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11-8-12(2)10-17(9-11)13(18)6-7-16-14(19)20-15(3,4)5/h11-12H,6-10H2,1-5H3,(H,16,19).
What are the key properties of tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate?
tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate is sourced from PubChem (CID 24689282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).