ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate

C16H30N2O2 — CID 83050233

IUPACethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C16H30N2O2/c1-3-5-15(16(19)20-4-2)18(14-6-7-14)12-13-8-10-17-11-9-13/h13-15,17H,3-12H2,1-2H3
InChIKeyPOYSEUSABQMFMC-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.18
Rot. Bonds8

About ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate

ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate (PubChem CID 83050233) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
PubChem CID83050233
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nameethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(CC1CCNCC1)C1CC1
InChIInChI=1S/C16H30N2O2/c1-3-5-15(16(19)20-4-2)18(14-6-7-14)12-13-8-10-17-11-9-13/h13-15,17H,3-12H2,1-2H3
InChIKeyPOYSEUSABQMFMC-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate 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-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79714662
ethyl 2-[azepan-4-yl(methyl)amino]pentanoate
CID 107173439
ethyl 2-[methyl(pyrrolidin-3-yl)amino]pentanoate
CID 83049855
ethyl 2-[(4-ethylcyclohexyl)-methylamino]pentanoate
CID 83041492
ethyl 2-[cyclopentyl(3-methylbutyl)amino]pentanoate
CID 83049195
diethyl 2-(2-piperidin-4-ylethyl)propanedioate
CID 57155204
ethyl N-(piperidin-4-ylmethyl)-N-propan-2-ylcarbamate
CID 79721032
ethyl 2-[cyanomethyl(cyclopentyl)amino]pentanoate
CID 83040934
ethyl 2-[cyclopropyl(piperidin-2-ylmethyl)amino]butanoate
CID 106631700
N-cyclopropyl-N-(piperidin-4-ylmethyl)propanamide;hydrochloride
CID 126511804
ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79715051
N-(piperidin-4-ylmethyl)-N-(6,6,6-trifluorohexan-2-yl)cyclopropanamine
CID 116535691

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate?
The IUPAC name of ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate (CID 83050233) is ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate is CCCC(C(=O)OCC)N(CC1CCNCC1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate?
The InChIKey is POYSEUSABQMFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-5-15(16(19)20-4-2)18(14-6-7-14)12-13-8-10-17-11-9-13/h13-15,17H,3-12H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate?
ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate has a molecular weight of 282.43 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl(piperidin-4-ylmethyl)amino]pentanoate is sourced from PubChem (CID 83050233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).