ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate

C19H36N2O2 — CID 83998366

IUPACethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
SMILESCCCN1CC(CC(=O)OCC)CC(NCC2CCCCC2)C1
InChIInChI=1S/C19H36N2O2/c1-3-10-21-14-17(12-19(22)23-4-2)11-18(15-21)20-13-16-8-6-5-7-9-16/h16-18,20H,3-15H2,1-2H3
InChIKeyGPDXTHVDDBCOIO-UHFFFAOYSA-N
MW324.51 g/mol
LogP3.21
Rot. Bonds8

About ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate

ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate (PubChem CID 83998366) has the molecular formula C19H36N2O2 and a molecular weight of 324.51 g/mol. Its IUPAC name is ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
PubChem CID83998366
Molecular FormulaC19H36N2O2
Molecular Weight324.51 g/mol
Exact Mass324.28
IUPAC Nameethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
SMILESCCCN1CC(CC(=O)OCC)CC(NCC2CCCCC2)C1
InChIInChI=1S/C19H36N2O2/c1-3-10-21-14-17(12-19(22)23-4-2)11-18(15-21)20-13-16-8-6-5-7-9-16/h16-18,20H,3-15H2,1-2H3
InChIKeyGPDXTHVDDBCOIO-UHFFFAOYSA-N
XLogP3.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate 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-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate
CID 83991501
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
2-[1-butyl-5-(cyclopentylmethylamino)piperidin-3-yl]acetic acid
CID 83997711
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate
CID 83996617
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate
CID 83998544
ethyl 3-[5-(cyclobutylmethylamino)-1-methylpiperidin-3-yl]propanoate
CID 83996913
2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
CID 83998068
1-[5-(cyclobutylmethylamino)-1-propylpiperidin-3-yl]butan-2-ol
CID 83996988
N-(cyclobutylmethyl)-1-propyl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83996991
methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate?
The IUPAC name of ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate (CID 83998366) is ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate is CCCN1CC(CC(=O)OCC)CC(NCC2CCCCC2)C1.
What is the InChIKey of ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate?
The InChIKey is GPDXTHVDDBCOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O2/c1-3-10-21-14-17(12-19(22)23-4-2)11-18(15-21)20-13-16-8-6-5-7-9-16/h16-18,20H,3-15H2,1-2H3.
What are the key properties of ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate?
ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate has a molecular weight of 324.51 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate is sourced from PubChem (CID 83998366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).