ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate

C23H36N2O2 — CID 28732842

IUPACethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate
SMILESCCCN1CCC(N2CCC[C@@](Cc3ccccc3)(C(=O)OCC)C2)CC1
InChIInChI=1S/C23H36N2O2/c1-3-14-24-16-11-21(12-17-24)25-15-8-13-23(19-25,22(26)27-4-2)18-20-9-6-5-7-10-20/h5-7,9-10,21H,3-4,8,11-19H2,1-2H3/t23-/m0/s1
InChIKeyBMDGAEKUZCTZEV-QHCPKHFHSA-N
MW372.55 g/mol
LogP3.75
Rot. Bonds7

About ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate

ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate (PubChem CID 28732842) has the molecular formula C23H36N2O2 and a molecular weight of 372.55 g/mol. Its IUPAC name is ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate
PubChem CID28732842
Molecular FormulaC23H36N2O2
Molecular Weight372.55 g/mol
Exact Mass372.28
IUPAC Nameethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate
SMILESCCCN1CCC(N2CCC[C@@](Cc3ccccc3)(C(=O)OCC)C2)CC1
InChIInChI=1S/C23H36N2O2/c1-3-14-24-16-11-21(12-17-24)25-15-8-13-23(19-25,22(26)27-4-2)18-20-9-6-5-7-10-20/h5-7,9-10,21H,3-4,8,11-19H2,1-2H3/t23-/m0/s1
InChIKeyBMDGAEKUZCTZEV-QHCPKHFHSA-N
XLogP3.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.55
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate 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 (3R)-1-(1-acetylpiperidin-4-yl)-3-[(3-chlorophenyl)methyl]piperidine-3-carboxylate
CID 42379039
ethyl 1-(1-methylpiperidin-4-yl)-3-(2-phenoxyethyl)piperidine-3-carboxylate
CID 45234907
ethyl (3S)-1-cyclobutyl-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 25453067
ethyl 3-benzyl-1-(ethylcarbamoyl)piperidine-3-carboxylate
CID 45244971
ethyl 3-benzyl-1-(pyrazolidine-4-carbonyl)piperidine-3-carboxylate
CID 74324679
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate
CID 26333828
ethyl (3S)-3-benzyl-1-[(2-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 26411375
ethyl 3-benzyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 45200747
ethyl (3S)-3-benzyl-1-[(1-ethylimidazol-2-yl)methyl]piperidine-3-carboxylate
CID 26411319
ethyl 1-(1H-benzimidazol-2-ylmethyl)-3-benzylpiperidine-3-carboxylate
CID 45192577
ethyl (3S)-1-[(2R)-2-amino-3-phenylmethoxypropanoyl]-3-benzylpiperidine-3-carboxylate
CID 10623867

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate (CID 28732842) is ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate is CCCN1CCC(N2CCC[C@@](Cc3ccccc3)(C(=O)OCC)C2)CC1.
What is the InChIKey of ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate?
The InChIKey is BMDGAEKUZCTZEV-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H36N2O2/c1-3-14-24-16-11-21(12-17-24)25-15-8-13-23(19-25,22(26)27-4-2)18-20-9-6-5-7-10-20/h5-7,9-10,21H,3-4,8,11-19H2,1-2H3/t23-/m0/s1.
What are the key properties of ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate?
ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate has a molecular weight of 372.55 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate is sourced from PubChem (CID 28732842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).