ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate

C15H27N3O3 — CID 79322433

IUPACethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCC(N)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-15(20)12-3-9-18(10-4-12)14(19)11-17-7-5-13(16)6-8-17/h12-13H,2-11,16H2,1H3
InChIKeyMJWBPOAWLXVQRL-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.21
Rot. Bonds4

About ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate (PubChem CID 79322433) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
PubChem CID79322433
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nameethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCC(N)CC2)CC1
InChIInChI=1S/C15H27N3O3/c1-2-21-15(20)12-3-9-18(10-4-12)14(19)11-17-7-5-13(16)6-8-17/h12-13H,2-11,16H2,1H3
InChIKeyMJWBPOAWLXVQRL-UHFFFAOYSA-N
XLogP0.21
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-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 1-(2-morpholin-4-ylacetyl)piperidine-4-carboxylate
CID 54814212
1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carbohydrazide
CID 63578248
ethyl 1-(4-aminopiperidin-1-yl)sulfonylpiperidine-4-carboxylate;hydrochloride
CID 177052799
ethyl 1-ethylpiperidine-4-carboxylate
CID 11106043
ethyl 1-[2-[4-(4-chlorophenyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 46056192
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-(methylcarbamoyl)piperidine-4-carboxylate
CID 13106482
methyl 1-(2-pyrrolidin-1-ylacetyl)piperidine-4-carboxylate
CID 47006242
ethyl 1-[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl]piperidine-4-carboxylate
CID 8931140
ethyl 1-(4-aminobutanoyl)piperidine-4-carboxylate
CID 22692245
ethyl 1-(3-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 64685754

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate (CID 79322433) is ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN2CCC(N)CC2)CC1.
What is the InChIKey of ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is MJWBPOAWLXVQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-2-21-15(20)12-3-9-18(10-4-12)14(19)11-17-7-5-13(16)6-8-17/h12-13H,2-11,16H2,1H3.
What are the key properties of ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-aminopiperidin-1-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 79322433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).