1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide

C17H21N7O2 — CID 53363031

IUPAC1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(C(N)=O)CC3)n2)c1
InChIInChI=1S/C17H21N7O2/c1-11(25)21-13-3-2-4-14(9-13)22-16-19-10-20-17(23-16)24-7-5-12(6-8-24)15(18)26/h2-4,9-10,12H,5-8H2,1H3,(H2,18,26)(H,21,25)(H,19,20,22,23)
InChIKeyFBMABOSTKOKVKO-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.28
Rot. Bonds5

About 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide

1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide (PubChem CID 53363031) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
PubChem CID53363031
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(C(N)=O)CC3)n2)c1
InChIInChI=1S/C17H21N7O2/c1-11(25)21-13-3-2-4-14(9-13)22-16-19-10-20-17(23-16)24-7-5-12(6-8-24)15(18)26/h2-4,9-10,12H,5-8H2,1H3,(H2,18,26)(H,21,25)(H,19,20,22,23)
InChIKeyFBMABOSTKOKVKO-UHFFFAOYSA-N
XLogP1.28
TPSA126.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

CID 45136898
CID 45136898
CID 53362171
CID 53362171
CID 53362973
CID 53362973
CID 162665518
CID 162665518
CID 53363030
CID 53363030
CID 53363032
CID 53363032
CID 9026002
CID 9026002
CID 53362167
CID 53362167
CID 53362970
CID 53362970
CID 53363026
CID 53363026
CID 53363027
CID 53363027
CID 53363028
CID 53363028

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide (CID 53363031) is 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(C(N)=O)CC3)n2)c1.
What is the InChIKey of 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
The InChIKey is FBMABOSTKOKVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-11(25)21-13-3-2-4-14(9-13)22-16-19-10-20-17(23-16)24-7-5-12(6-8-24)15(18)26/h2-4,9-10,12H,5-8H2,1H3,(H2,18,26)(H,21,25)(H,19,20,22,23).
What are the key properties of 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide?
1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-acetamidoanilino)-1,3,5-triazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 53363031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).