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

C18H32N6O3 — CID 3242341

IUPACethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate
SMILESCCCN(CCC)c1nc(NC2CCN(C(=O)OCC)CC2)nc(OC)n1
InChIInChI=1S/C18H32N6O3/c1-5-10-23(11-6-2)16-20-15(21-17(22-16)26-4)19-14-8-12-24(13-9-14)18(25)27-7-3/h14H,5-13H2,1-4H3,(H,19,20,21,22)
InChIKeyIZCBEWIIEYZEJD-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.54
Rot. Bonds9

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

ethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate (PubChem CID 3242341) has the molecular formula C18H32N6O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate
PubChem CID3242341
Molecular FormulaC18H32N6O3
Molecular Weight380.49 g/mol
Exact Mass380.25
IUPAC Nameethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate
SMILESCCCN(CCC)c1nc(NC2CCN(C(=O)OCC)CC2)nc(OC)n1
InChIInChI=1S/C18H32N6O3/c1-5-10-23(11-6-2)16-20-15(21-17(22-16)26-4)19-14-8-12-24(13-9-14)18(25)27-7-3/h14H,5-13H2,1-4H3,(H,19,20,21,22)
InChIKeyIZCBEWIIEYZEJD-UHFFFAOYSA-N
XLogP2.54
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate (CID 3242341) is ethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate is CCCN(CCC)c1nc(NC2CCN(C(=O)OCC)CC2)nc(OC)n1.
What is the InChIKey of ethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate?
The InChIKey is IZCBEWIIEYZEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O3/c1-5-10-23(11-6-2)16-20-15(21-17(22-16)26-4)19-14-8-12-24(13-9-14)18(25)27-7-3/h14H,5-13H2,1-4H3,(H,19,20,21,22).
What are the key properties of ethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate has a molecular weight of 380.49 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(dipropylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 3242341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).