N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide

C16H20N6O — CID 138030111

IUPACN,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ncnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N6O/c1-20(2)16(23)22-10-8-21(9-11-22)15-18-12-17-14(19-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyBKPVEEGFSMCQDW-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.34
Rot. Bonds2

About N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide

N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide (PubChem CID 138030111) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide
PubChem CID138030111
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC NameN,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ncnc(-c3ccccc3)n2)CC1
InChIInChI=1S/C16H20N6O/c1-20(2)16(23)22-10-8-21(9-11-22)15-18-12-17-14(19-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyBKPVEEGFSMCQDW-UHFFFAOYSA-N
XLogP1.34
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide (CID 138030111) is N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2ncnc(-c3ccccc3)n2)CC1.
What is the InChIKey of N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide?
The InChIKey is BKPVEEGFSMCQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-20(2)16(23)22-10-8-21(9-11-22)15-18-12-17-14(19-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide?
N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide has a molecular weight of 312.38 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-phenyl-1,3,5-triazin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 138030111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).