1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide

C25H48N8O — CID 117080228

IUPAC1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2nc(NCCN(C(C)C)C(C)C)nc(N(CC)CC)n2)C1
InChIInChI=1S/C25H48N8O/c1-9-30(10-2)22(34)21-14-13-16-32(18-21)25-28-23(27-24(29-25)31(11-3)12-4)26-15-17-33(19(5)6)20(7)8/h19-21H,9-18H2,1-8H3,(H,26,27,28,29)
InChIKeyHZHJRHIJLPZWTQ-UHFFFAOYSA-N
MW476.71 g/mol
LogP3.33
Rot. Bonds13

About 1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide

1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 117080228) has the molecular formula C25H48N8O and a molecular weight of 476.71 g/mol. Its IUPAC name is 1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID117080228
Molecular FormulaC25H48N8O
Molecular Weight476.71 g/mol
Exact Mass476.40
IUPAC Name1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(c2nc(NCCN(C(C)C)C(C)C)nc(N(CC)CC)n2)C1
InChIInChI=1S/C25H48N8O/c1-9-30(10-2)22(34)21-14-13-16-32(18-21)25-28-23(27-24(29-25)31(11-3)12-4)26-15-17-33(19(5)6)20(7)8/h19-21H,9-18H2,1-8H3,(H,26,27,28,29)
InChIKeyHZHJRHIJLPZWTQ-UHFFFAOYSA-N
XLogP3.33
TPSA80.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.71
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide (CID 117080228) is 1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(c2nc(NCCN(C(C)C)C(C)C)nc(N(CC)CC)n2)C1.
What is the InChIKey of 1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is HZHJRHIJLPZWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N8O/c1-9-30(10-2)22(34)21-14-13-16-32(18-21)25-28-23(27-24(29-25)31(11-3)12-4)26-15-17-33(19(5)6)20(7)8/h19-21H,9-18H2,1-8H3,(H,26,27,28,29).
What are the key properties of 1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 476.71 g/mol, XLogP of 3.33, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-6-[2-[di(propan-2-yl)amino]ethylamino]-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 117080228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).