ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate

C19H28N4O4 — CID 113122149

IUPACethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)NCc2cccnc2)C(C)=O)CC1
InChIInChI=1S/C19H28N4O4/c1-3-27-19(26)22-10-6-17(7-11-22)23(15(2)24)12-8-18(25)21-14-16-5-4-9-20-13-16/h4-5,9,13,17H,3,6-8,10-12,14H2,1-2H3,(H,21,25)
InChIKeyAOBASXPDENCKNS-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.56
Rot. Bonds7

About ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate

ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate (PubChem CID 113122149) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
PubChem CID113122149
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Nameethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)NCc2cccnc2)C(C)=O)CC1
InChIInChI=1S/C19H28N4O4/c1-3-27-19(26)22-10-6-17(7-11-22)23(15(2)24)12-8-18(25)21-14-16-5-4-9-20-13-16/h4-5,9,13,17H,3,6-8,10-12,14H2,1-2H3,(H,21,25)
InChIKeyAOBASXPDENCKNS-UHFFFAOYSA-N
XLogP1.56
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[acetyl-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122143
ethyl 4-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023489
ethyl 4-(pyridin-3-ylmethylcarbamoylamino)piperidine-1-carboxylate
CID 110706271
ethyl 4-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]piperidine-1-carboxylate
CID 109121105
ethyl 4-(3-pyridin-3-ylpropanoylamino)piperidine-1-carboxylate
CID 31369357
ethyl 4-[[4-(pyridin-3-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109307332
ethyl 4-[acetyl-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165684
ethyl 4-[acetyl-[3-(4-ethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122175
3-(dipropylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023509
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146
ethyl 3-oxo-3-(pyridin-3-ylmethylamino)propanoate
CID 110465393
3-[acetyl(cyclopentyl)amino]-N-benzylpropanamide
CID 113116330

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate (CID 113122149) is ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CCC(=O)NCc2cccnc2)C(C)=O)CC1.
What is the InChIKey of ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate?
The InChIKey is AOBASXPDENCKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-3-27-19(26)22-10-6-17(7-11-22)23(15(2)24)12-8-18(25)21-14-16-5-4-9-20-13-16/h4-5,9,13,17H,3,6-8,10-12,14H2,1-2H3,(H,21,25).
What are the key properties of ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate?
ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate has a molecular weight of 376.46 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113122149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).