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

C17H26N4O3 — CID 109023796

IUPACethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)NCc2ccncc2)CC1
InChIInChI=1S/C17H26N4O3/c1-2-24-17(23)21-11-6-15(7-12-21)19-10-5-16(22)20-13-14-3-8-18-9-4-14/h3-4,8-9,15,19H,2,5-7,10-13H2,1H3,(H,20,22)
InChIKeyWHPWGFHONDHJQP-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.30
Rot. Bonds7

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

ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate (PubChem CID 109023796) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate
PubChem CID109023796
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nameethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCC(=O)NCc2ccncc2)CC1
InChIInChI=1S/C17H26N4O3/c1-2-24-17(23)21-11-6-15(7-12-21)19-10-5-16(22)20-13-14-3-8-18-9-4-14/h3-4,8-9,15,19H,2,5-7,10-13H2,1H3,(H,20,22)
InChIKeyWHPWGFHONDHJQP-UHFFFAOYSA-N
XLogP1.30
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]piperidine-1-carboxylate
CID 109023489
ethyl 4-[[4-methyl-6-(pyridin-4-ylmethylcarbamoyl)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 109330240
ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109001487
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-[1-(pyridin-4-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108976948
ethyl 4-[[3-(2,6-diethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028940
ethyl 4-[[3-[2-(2-methoxyphenyl)ethylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109025237
4-(pyridin-4-ylmethylamino)piperidine-1-carboxamide
CID 43769393
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028946
ethyl 4-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329550

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate (CID 109023796) is ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCC(=O)NCc2ccncc2)CC1.
What is the InChIKey of ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate?
The InChIKey is WHPWGFHONDHJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-24-17(23)21-11-6-15(7-12-21)19-10-5-16(22)20-13-14-3-8-18-9-4-14/h3-4,8-9,15,19H,2,5-7,10-13H2,1H3,(H,20,22).
What are the key properties of ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate?
ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 1.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[3-oxo-3-(pyridin-4-ylmethylamino)propyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109023796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).