ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate

C19H31N7O4 — CID 2951094

IUPACethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H31N7O4/c1-2-30-19(27)26-5-3-15(4-6-26)20-16-21-17(24-7-11-28-12-8-24)23-18(22-16)25-9-13-29-14-10-25/h15H,2-14H2,1H3,(H,20,21,22,23)
InChIKeyHMZROJLZNFGBEU-UHFFFAOYSA-N
MW421.50 g/mol
LogP0.58
Rot. Bonds5

About ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate

ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 2951094) has the molecular formula C19H31N7O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID2951094
Molecular FormulaC19H31N7O4
Molecular Weight421.50 g/mol
Exact Mass421.24
IUPAC Nameethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1
InChIInChI=1S/C19H31N7O4/c1-2-30-19(27)26-5-3-15(4-6-26)20-16-21-17(24-7-11-28-12-8-24)23-18(22-16)25-9-13-29-14-10-25/h15H,2-14H2,1H3,(H,20,21,22,23)
InChIKeyHMZROJLZNFGBEU-UHFFFAOYSA-N
XLogP0.58
TPSA105.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-{2-[(4,6-di-1-piperidinyl-1,3,5-triazin-2-yl)oxy]ethyl}acetamide
CID 2186428
Ethyl 4-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidinecarboxylate
CID 976805
Ethyl 4-{[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino}piperidine-1-carboxylate
CID 3242341
N-ethyl-4-[4-[3-(ethylamino)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholin-3-amine
CID 49862876
N-(2-{[4-(4-morpholinyl)-6-(1-piperidinyl)-1,3,5-triazin-2-yl]oxy}ethyl)acetamide
CID 2229475
N2,N4-bis(3-morpholinopropyl)-6-(1-piperidyl)-1,3,5-triazine-2,4-diamine
CID 46854211
4-N,4-N-diethyl-2-N-(2-morpholin-4-ylethyl)-6-(4-morpholin-4-ylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 117094271
ethyl 4-[4,6-bis[(3R,5S)-3,5-diaminopiperidin-1-yl]-1,3,5-triazin-2-yl]piperazine-1-carboxylate
CID 58865697
Ethyl 4-[4,6-bis(3,5-diaminopiperidin-1-yl)-1,3,5-triazin-2-yl]piperazine-1-carboxylate
CID 72447709
Tert-butyl 4-[[4,6-bis[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate
CID 146501756
Tert-butyl 4-[[4,6-bis[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate;ethane
CID 153569643
4-[[4-(2-Hydroxyethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylic acid
CID 153798553

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate (CID 2951094) is ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1.
What is the InChIKey of ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is HMZROJLZNFGBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O4/c1-2-30-19(27)26-5-3-15(4-6-26)20-16-21-17(24-7-11-28-12-8-24)23-18(22-16)25-9-13-29-14-10-25/h15H,2-14H2,1H3,(H,20,21,22,23).
What are the key properties of ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 421.50 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 2951094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).