N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide

C16H25N7O — CID 13377446

IUPACN-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(NC(C)=O)CC2)n1
InChIInChI=1S/C16H25N7O/c1-4-8-17-14-20-15(18-9-5-2)22-16(21-14)23-10-6-13(7-11-23)19-12(3)24/h4-5,13H,1-2,6-11H2,3H3,(H,19,24)(H2,17,18,20,21,22)
InChIKeyDNZOZZCCZWDRHX-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.17
Rot. Bonds8

About N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide

N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide (PubChem CID 13377446) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
PubChem CID13377446
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC NameN-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide
SMILESC=CCNc1nc(NCC=C)nc(N2CCC(NC(C)=O)CC2)n1
InChIInChI=1S/C16H25N7O/c1-4-8-17-14-20-15(18-9-5-2)22-16(21-14)23-10-6-13(7-11-23)19-12(3)24/h4-5,13H,1-2,6-11H2,3H3,(H,19,24)(H2,17,18,20,21,22)
InChIKeyDNZOZZCCZWDRHX-UHFFFAOYSA-N
XLogP1.17
TPSA95.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide (CID 13377446) is N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide is C=CCNc1nc(NCC=C)nc(N2CCC(NC(C)=O)CC2)n1.
What is the InChIKey of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
The InChIKey is DNZOZZCCZWDRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-4-8-17-14-20-15(18-9-5-2)22-16(21-14)23-10-6-13(7-11-23)19-12(3)24/h4-5,13H,1-2,6-11H2,3H3,(H,19,24)(H2,17,18,20,21,22).
What are the key properties of N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide?
N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.17, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4,6-bis(prop-2-enylamino)-1,3,5-triazin-2-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 13377446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).