ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate

C16H32N2O2 — CID 83061902

IUPACethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate
SMILESCCCC1CCCCN1CC(NC(C)C)C(=O)OCC
InChIInChI=1S/C16H32N2O2/c1-5-9-14-10-7-8-11-18(14)12-15(17-13(3)4)16(19)20-6-2/h13-15,17H,5-12H2,1-4H3
InChIKeyMOOYESORXIKLTK-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.57
Rot. Bonds8

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

ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate (PubChem CID 83061902) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate
PubChem CID83061902
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nameethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate
SMILESCCCC1CCCCN1CC(NC(C)C)C(=O)OCC
InChIInChI=1S/C16H32N2O2/c1-5-9-14-10-7-8-11-18(14)12-15(17-13(3)4)16(19)20-6-2/h13-15,17H,5-12H2,1-4H3
InChIKeyMOOYESORXIKLTK-UHFFFAOYSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate
CID 83055490
2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062596
ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103501963
ethyl 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylpropanoate
CID 62888613
1-methoxy-3-(2-propylpiperidin-1-yl)propan-2-amine
CID 83055953
3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one
CID 83055895
ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165603
ethyl 6-(2-propylpiperidin-1-yl)hexanoate
CID 83055887
3-methyl-4-(2-propylpiperidin-1-yl)butan-1-amine
CID 83055638
2-amino-4-(2-propylpiperidin-1-yl)butanamide
CID 83062448
methyl 4-(2-ethylpiperidin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55145067
2-methyl-3-(2-propylpiperidin-1-yl)propane-1-thiol
CID 83057094

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate (CID 83061902) is ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate is CCCC1CCCCN1CC(NC(C)C)C(=O)OCC.
What is the InChIKey of ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate?
The InChIKey is MOOYESORXIKLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-9-14-10-7-8-11-18(14)12-15(17-13(3)4)16(19)20-6-2/h13-15,17H,5-12H2,1-4H3.
What are the key properties of ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate?
ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate has a molecular weight of 284.44 g/mol, XLogP of 2.57, 8 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-(2-propylpiperidin-1-yl)propanoate is sourced from PubChem (CID 83061902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).