1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide

C14H19N5O3 — CID 3222673

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCN(c2nc(OC)nc(OC)n2)CC1
InChIInChI=1S/C14H19N5O3/c1-4-7-15-11(20)10-5-8-19(9-6-10)12-16-13(21-2)18-14(17-12)22-3/h1,10H,5-9H2,2-3H3,(H,15,20)
InChIKeyANFXSKDLAJOYDJ-UHFFFAOYSA-N
MW305.34 g/mol
LogP-0.15
Rot. Bonds5

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 3222673) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide
PubChem CID3222673
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCNC(=O)C1CCN(c2nc(OC)nc(OC)n2)CC1
InChIInChI=1S/C14H19N5O3/c1-4-7-15-11(20)10-5-8-19(9-6-10)12-16-13(21-2)18-14(17-12)22-3/h1,10H,5-9H2,2-3H3,(H,15,20)
InChIKeyANFXSKDLAJOYDJ-UHFFFAOYSA-N
XLogP-0.15
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide (CID 3222673) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide is C#CCNC(=O)C1CCN(c2nc(OC)nc(OC)n2)CC1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is ANFXSKDLAJOYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-7-15-11(20)10-5-8-19(9-6-10)12-16-13(21-2)18-14(17-12)22-3/h1,10H,5-9H2,2-3H3,(H,15,20).
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 305.34 g/mol, XLogP of -0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 3222673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).