2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

C16H25N5O — CID 50974126

IUPAC2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC(c2nncn2C)CC1
InChIInChI=1S/C16H25N5O/c1-4-8-21(9-5-2)15(22)12-20-10-6-14(7-11-20)16-18-17-13-19(16)3/h4-5,13-14H,1-2,6-12H2,3H3
InChIKeyGIQHWZPXHTXPMW-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.20
Rot. Bonds7

About 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide

2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (PubChem CID 50974126) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
PubChem CID50974126
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
SMILESC=CCN(CC=C)C(=O)CN1CCC(c2nncn2C)CC1
InChIInChI=1S/C16H25N5O/c1-4-8-21(9-5-2)15(22)12-20-10-6-14(7-11-20)16-18-17-13-19(16)3/h4-5,13-14H,1-2,6-12H2,3H3
InChIKeyGIQHWZPXHTXPMW-UHFFFAOYSA-N
XLogP1.20
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The IUPAC name of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide (CID 50974126) is 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide.
What is the SMILES notation for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The canonical SMILES for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is C=CCN(CC=C)C(=O)CN1CCC(c2nncn2C)CC1.
What is the InChIKey of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
The InChIKey is GIQHWZPXHTXPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-8-21(9-5-2)15(22)12-20-10-6-14(7-11-20)16-18-17-13-19(16)3/h4-5,13-14H,1-2,6-12H2,3H3.
What are the key properties of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide?
2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.20, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide is sourced from PubChem (CID 50974126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).