ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate

C15H30N2O2 — CID 61498192

IUPACethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate
SMILESCCCN1CCC(C(C)NC(C)C(=O)OCC)CC1
InChIInChI=1S/C15H30N2O2/c1-5-9-17-10-7-14(8-11-17)12(3)16-13(4)15(18)19-6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyXCUDBVYLEUURKC-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds7

About ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate

ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate (PubChem CID 61498192) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate
PubChem CID61498192
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nameethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate
SMILESCCCN1CCC(C(C)NC(C)C(=O)OCC)CC1
InChIInChI=1S/C15H30N2O2/c1-5-9-17-10-7-14(8-11-17)12(3)16-13(4)15(18)19-6-2/h12-14,16H,5-11H2,1-4H3
InChIKeyXCUDBVYLEUURKC-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81393902
ethyl 2-(1-cyclobutylethylamino)propanoate
CID 115766406
2-[1-(1-propylpiperidin-4-yl)ethylamino]propan-1-ol
CID 43499437
1-methoxy-N-[1-(1-propylpiperidin-4-yl)ethyl]propan-2-amine
CID 43307539
3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine
CID 113457709
2-[(1-propylpiperidin-4-yl)amino]propanamide
CID 43401252
methyl 4-[1-(1-propylpiperidin-4-yl)ethylamino]butanoate
CID 54920422
ethyl 2-[(1-propylpiperidin-4-yl)amino]acetate
CID 60681705
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103501963
ethyl (2S)-2-(propan-2-ylamino)propanoate
CID 45086712
methyl 2-[[(1S)-1-cyclopentylethyl]amino]propanoate
CID 81386105

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate?
The IUPAC name of ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate (CID 61498192) is ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate is CCCN1CCC(C(C)NC(C)C(=O)OCC)CC1.
What is the InChIKey of ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate?
The InChIKey is XCUDBVYLEUURKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-5-9-17-10-7-14(8-11-17)12(3)16-13(4)15(18)19-6-2/h12-14,16H,5-11H2,1-4H3.
What are the key properties of ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate?
ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(1-propylpiperidin-4-yl)ethylamino]propanoate is sourced from PubChem (CID 61498192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).