N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide

C13H23N5O — CID 90226741

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide
SMILESCN1CCC(N(C)C(=O)CCCc2cn[nH]n2)CC1
InChIInChI=1S/C13H23N5O/c1-17-8-6-12(7-9-17)18(2)13(19)5-3-4-11-10-14-16-15-11/h10,12H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyCXCFJEYLTZENIA-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.68
Rot. Bonds5

About N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide

N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide (PubChem CID 90226741) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide
PubChem CID90226741
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide
SMILESCN1CCC(N(C)C(=O)CCCc2cn[nH]n2)CC1
InChIInChI=1S/C13H23N5O/c1-17-8-6-12(7-9-17)18(2)13(19)5-3-4-11-10-14-16-15-11/h10,12H,3-9H2,1-2H3,(H,14,15,16)
InChIKeyCXCFJEYLTZENIA-UHFFFAOYSA-N
XLogP0.68
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide (CID 90226741) is N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide is CN1CCC(N(C)C(=O)CCCc2cn[nH]n2)CC1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide?
The InChIKey is CXCFJEYLTZENIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17-8-6-12(7-9-17)18(2)13(19)5-3-4-11-10-14-16-15-11/h10,12H,3-9H2,1-2H3,(H,14,15,16).
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide?
N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide has a molecular weight of 265.36 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-4-(2H-triazol-4-yl)butanamide is sourced from PubChem (CID 90226741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).