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

C15H28N2O4 — CID 47736405

IUPACtert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate
SMILESCCOC1CCCN(C(=O)CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-5-20-12-7-6-10-17(11-12)13(18)8-9-16-14(19)21-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeySXNALCPSLINSRO-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.93
Rot. Bonds5

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

tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate (PubChem CID 47736405) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate
PubChem CID47736405
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nametert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate
SMILESCCOC1CCCN(C(=O)CCNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O4/c1-5-20-12-7-6-10-17(11-12)13(18)8-9-16-14(19)21-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeySXNALCPSLINSRO-UHFFFAOYSA-N
XLogP1.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethoxypiperidin-1-yl)-3-sulfanylpropan-1-one
CID 107026169
tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
4-chloro-1-(3-ethoxypiperidin-1-yl)butan-1-one
CID 63308584
tert-butyl N-[3-oxo-3-(3-pyridin-4-ylpiperidin-1-yl)propyl]carbamate
CID 122158230
tert-butyl N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689282
7-amino-1-(3-ethoxypiperidin-1-yl)heptan-1-one
CID 54990000
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-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]carbamate;propane
CID 142306619
tert-butyl N-[4-(azepan-1-yl)-4-oxobutyl]carbamate
CID 24688946
tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
CID 22027804
2-(cyclopropylmethylamino)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 54990051

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate (CID 47736405) is tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate is CCOC1CCCN(C(=O)CCNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate?
The InChIKey is SXNALCPSLINSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-20-12-7-6-10-17(11-12)13(18)8-9-16-14(19)21-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate?
tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate has a molecular weight of 300.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]carbamate is sourced from PubChem (CID 47736405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).