1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide

C20H37N7O — CID 117080796

IUPAC1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCCNc1nc(N(CC)CC)nc(N2CCCC(C(=O)N(CC)CC)C2)n1
InChIInChI=1S/C20H37N7O/c1-6-13-21-18-22-19(26(9-4)10-5)24-20(23-18)27-14-11-12-16(15-27)17(28)25(7-2)8-3/h16H,6-15H2,1-5H3,(H,21,22,23,24)
InChIKeyHKWMMQCQORMPEW-UHFFFAOYSA-N
MW391.56 g/mol
LogP2.62
Rot. Bonds10

About 1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide

1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 117080796) has the molecular formula C20H37N7O and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID117080796
Molecular FormulaC20H37N7O
Molecular Weight391.56 g/mol
Exact Mass391.31
IUPAC Name1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCCNc1nc(N(CC)CC)nc(N2CCCC(C(=O)N(CC)CC)C2)n1
InChIInChI=1S/C20H37N7O/c1-6-13-21-18-22-19(26(9-4)10-5)24-20(23-18)27-14-11-12-16(15-27)17(28)25(7-2)8-3/h16H,6-15H2,1-5H3,(H,21,22,23,24)
InChIKeyHKWMMQCQORMPEW-UHFFFAOYSA-N
XLogP2.62
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide (CID 117080796) is 1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide is CCCNc1nc(N(CC)CC)nc(N2CCCC(C(=O)N(CC)CC)C2)n1.
What is the InChIKey of 1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is HKWMMQCQORMPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N7O/c1-6-13-21-18-22-19(26(9-4)10-5)24-20(23-18)27-14-11-12-16(15-27)17(28)25(7-2)8-3/h16H,6-15H2,1-5H3,(H,21,22,23,24).
What are the key properties of 1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide?
1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 391.56 g/mol, XLogP of 2.62, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 117080796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).