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

C15H26N2O3 — CID 172590820

IUPACtert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate
SMILESC=CC1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O3/c1-5-12-7-10-17(11-8-12)13(18)6-9-16-14(19)20-15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,16,19)
InChIKeyKFPHFOMMVIOVQW-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.33
Rot. Bonds4

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

tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate (PubChem CID 172590820) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate
PubChem CID172590820
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Nametert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate
SMILESC=CC1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H26N2O3/c1-5-12-7-10-17(11-8-12)13(18)6-9-16-14(19)20-15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,16,19)
InChIKeyKFPHFOMMVIOVQW-UHFFFAOYSA-N
XLogP2.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
tert-butyl N-[3-oxo-3-[4-(prop-2-enoylamino)piperidin-1-yl]propyl]carbamate
CID 108919759
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-[4-[(E)-3-cyclopentylprop-2-enoyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 108918943
tert-butyl N-[3-[4-(3-methylbut-2-enoyl)piperazin-1-yl]-3-oxopropyl]carbamate
CID 108918938
tert-butyl N-[3-[4-methyl-3-(methylamino)piperidin-1-yl]-3-oxopropyl]carbamate
CID 68742391
tert-butyl N-[3-oxo-3-[4-(pentanoylamino)piperidin-1-yl]propyl]carbamate
CID 108555481
tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689282
tert-butyl N-[3-[4-[(E)-but-2-enoyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 108918937
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107
butyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperazine-1-carboxylate
CID 108567453
tert-butyl N-[3-[4-[2-(cyclopropylamino)-2-oxoacetyl]piperazin-1-yl]-3-oxopropyl]carbamate
CID 55734190

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate (CID 172590820) is tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate is C=CC1CCN(C(=O)CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate?
The InChIKey is KFPHFOMMVIOVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-5-12-7-10-17(11-8-12)13(18)6-9-16-14(19)20-15(2,3)4/h5,12H,1,6-11H2,2-4H3,(H,16,19).
What are the key properties of tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate?
tert-butyl N-[3-(4-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate has a molecular weight of 282.38 g/mol, XLogP of 2.33, 4 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-ethenylpiperidin-1-yl)-3-oxopropyl]carbamate is sourced from PubChem (CID 172590820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).