tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate

C14H26N2O3 — CID 24689329

IUPACtert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
SMILESCC1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-11-6-9-16(10-7-11)12(17)5-8-15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyANIYPXNRZWVGJK-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.16
Rot. Bonds3

About tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate

tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate (PubChem CID 24689329) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
PubChem CID24689329
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
SMILESCC1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O3/c1-11-6-9-16(10-7-11)12(17)5-8-15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18)
InChIKeyANIYPXNRZWVGJK-UHFFFAOYSA-N
XLogP2.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689282
tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 172590820
tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate
CID 68742391
tert-butyl N-[3-oxo-3-[4-(prop-2-enoylamino)piperidin-1-yl]propyl]carbamate
CID 108919759
tert-butyl N-[3-[4-(3-methylbut-2-enoyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 108918938
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107
tert-butyl N-[3-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 55734190
tert-butyl N-[3-oxo-3-[4-(pentanoylamino)piperidin-1-yl]propyl]carbamate
CID 108555481
tert-butyl N-[3-[4-[[[(E)-4,4-dimethylpent-2-enoyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919554
tert-butyl N-[3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]cyclobutyl]carbamate
CID 162753501
tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate
CID 47736405
tert-butyl N-[3-[4-[(E)-3-cyclopentylprop-2-enoyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 108918943

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate (CID 24689329) is tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate is CC1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate?
The InChIKey is ANIYPXNRZWVGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-11-6-9-16(10-7-11)12(17)5-8-15-13(18)19-14(2,3)4/h11H,5-10H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate?
tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate has a molecular weight of 270.37 g/mol, XLogP of 2.16, 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-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate is sourced from PubChem (CID 24689329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).