tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate

C15H28N2O3 — CID 127108331

IUPACtert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate
SMILESCCC1CCCCN1C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-5-12-8-6-7-11-17(12)13(18)9-10-16-14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyCJDRUDZPDLRPCO-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.69
Rot. Bonds4

About tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate

tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate (PubChem CID 127108331) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate
PubChem CID127108331
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate
SMILESCCC1CCCCN1C(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H28N2O3/c1-5-12-8-6-7-11-17(12)13(18)9-10-16-14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyCJDRUDZPDLRPCO-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 60843505
tert-butyl N-[2-(2-ethylpyrrolidin-1-yl)ethyl]carbamate
CID 68883286
3-cyclohexyl-1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 890408
tert-butyl N-[3-[[(2R)-1-[3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropyl]piperidin-2-yl]methylamino]-3-oxopropyl]carbamate
CID 99786774
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
CID 95321341
tert-butyl N-[3-(1-ethylpiperidin-2-yl)propyl]carbamate
CID 83982209
tert-butyl N-[2-oxo-2-[2-(sulfanylmethyl)pyrrolidin-1-yl]ethyl]carbamate
CID 20623549
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60974351
4-bromo-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 51147871

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate (CID 127108331) is tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate is CCC1CCCCN1C(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate?
The InChIKey is CJDRUDZPDLRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-12-8-6-7-11-17(12)13(18)9-10-16-14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19).
What are the key properties of tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate?
tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.69, 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-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate is sourced from PubChem (CID 127108331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).