ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate

C16H32N2O2 — CID 103501963

IUPACethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(C(C)C)CC1)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-6-20-16(19)15(17-13(4)5)11-18-9-7-14(8-10-18)12(2)3/h12-15,17H,6-11H2,1-5H3
InChIKeyLYBLYFGOLKBDBT-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.28
Rot. Bonds7

About ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate

ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate (PubChem CID 103501963) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
PubChem CID103501963
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(C(C)C)CC1)NC(C)C
InChIInChI=1S/C16H32N2O2/c1-6-20-16(19)15(17-13(4)5)11-18-9-7-14(8-10-18)12(2)3/h12-15,17H,6-11H2,1-5H3
InChIKeyLYBLYFGOLKBDBT-UHFFFAOYSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate (CID 103501963) is ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate is CCOC(=O)C(CN1CCC(C(C)C)CC1)NC(C)C.
What is the InChIKey of ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate?
The InChIKey is LYBLYFGOLKBDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-20-16(19)15(17-13(4)5)11-18-9-7-14(8-10-18)12(2)3/h12-15,17H,6-11H2,1-5H3.
What are the key properties of ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate?
ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate has a molecular weight of 284.44 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate is sourced from PubChem (CID 103501963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).