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

C19H31N7O2 — CID 2950215

IUPACethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C19H31N7O2/c1-2-28-19(27)26-13-7-15(8-14-26)20-16-21-17(24-9-3-4-10-24)23-18(22-16)25-11-5-6-12-25/h15H,2-14H2,1H3,(H,20,21,22,23)
InChIKeyBTMVSGCJMYYDCI-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.10
Rot. Bonds5

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

ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 2950215) has the molecular formula C19H31N7O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
PubChem CID2950215
Molecular FormulaC19H31N7O2
Molecular Weight389.50 g/mol
Exact Mass389.25
IUPAC Nameethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C19H31N7O2/c1-2-28-19(27)26-13-7-15(8-14-26)20-16-21-17(24-9-3-4-10-24)23-18(22-16)25-11-5-6-12-25/h15H,2-14H2,1H3,(H,20,21,22,23)
InChIKeyBTMVSGCJMYYDCI-UHFFFAOYSA-N
XLogP2.10
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate (CID 2950215) is ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)CC1.
What is the InChIKey of ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is BTMVSGCJMYYDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7O2/c1-2-28-19(27)26-13-7-15(8-14-26)20-16-21-17(24-9-3-4-10-24)23-18(22-16)25-11-5-6-12-25/h15H,2-14H2,1H3,(H,20,21,22,23).
What are the key properties of ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 2950215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).