N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide

C14H25N7O — CID 87017757

IUPACN-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(C)c2nc(N)nc(N(C)C)n2)C1
InChIInChI=1S/C14H25N7O/c1-9(12-17-13(15)19-14(18-12)20(3)4)21-7-5-6-11(8-21)16-10(2)22/h9,11H,5-8H2,1-4H3,(H,16,22)(H2,15,17,18,19)
InChIKeyAOUMGAFGJJUPHP-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.18
Rot. Bonds4

About N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide

N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide (PubChem CID 87017757) has the molecular formula C14H25N7O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide
PubChem CID87017757
Molecular FormulaC14H25N7O
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC NameN-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(C)c2nc(N)nc(N(C)C)n2)C1
InChIInChI=1S/C14H25N7O/c1-9(12-17-13(15)19-14(18-12)20(3)4)21-7-5-6-11(8-21)16-10(2)22/h9,11H,5-8H2,1-4H3,(H,16,22)(H2,15,17,18,19)
InChIKeyAOUMGAFGJJUPHP-UHFFFAOYSA-N
XLogP0.18
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide (CID 87017757) is N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(C)c2nc(N)nc(N(C)C)n2)C1.
What is the InChIKey of N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide?
The InChIKey is AOUMGAFGJJUPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N7O/c1-9(12-17-13(15)19-14(18-12)20(3)4)21-7-5-6-11(8-21)16-10(2)22/h9,11H,5-8H2,1-4H3,(H,16,22)(H2,15,17,18,19).
What are the key properties of N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide?
N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide has a molecular weight of 307.40 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 87017757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).