ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate

C15H21N3O3 — CID 107337538

IUPACethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)11-5-7-18(8-6-11)14(19)9-13-4-3-12(16)10-17-13/h3-4,10-11H,2,5-9,16H2,1H3
InChIKeyUCIZWBXVPDFBRW-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.01
Rot. Bonds4

About ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate (PubChem CID 107337538) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
PubChem CID107337538
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nameethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2ccc(N)cn2)CC1
InChIInChI=1S/C15H21N3O3/c1-2-21-15(20)11-5-7-18(8-6-11)14(19)9-13-4-3-12(16)10-17-13/h3-4,10-11H,2,5-9,16H2,1H3
InChIKeyUCIZWBXVPDFBRW-UHFFFAOYSA-N
XLogP1.01
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975
ethyl 1-[2-(4-ethylphenyl)acetyl]piperidine-4-carboxylate
CID 99705064
4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120621767
ethyl 1-(5-amino-2-pyridinyl)azocane-5-carboxylate
CID 144600760
ethyl 1-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]piperidine-4-carboxylate
CID 110450854
ethyl 1-[2-(4-aminopyrazol-1-yl)acetyl]piperidine-4-carboxylate
CID 61118509
methyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-2-carboxylate
CID 107337953
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
2-(5-amino-2-pyridinyl)-1-(2-methylazepan-1-yl)ethanone;hydrochloride
CID 120632859
2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 120640034
2-(5-amino-2-pyridinyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 107337486

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate (CID 107337538) is ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2ccc(N)cn2)CC1.
What is the InChIKey of ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate?
The InChIKey is UCIZWBXVPDFBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-21-15(20)11-5-7-18(8-6-11)14(19)9-13-4-3-12(16)10-17-13/h3-4,10-11H,2,5-9,16H2,1H3.
What are the key properties of ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 107337538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).