2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide

C12H21N5O — CID 71933044

IUPAC2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCC(c2nncn2C)CC1
InChIInChI=1S/C12H21N5O/c1-3-10(11(13)18)17-6-4-9(5-7-17)12-15-14-8-16(12)2/h8-10H,3-7H2,1-2H3,(H2,13,18)
InChIKeyRXJQZSZEPRBKFX-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.26
Rot. Bonds4

About 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide

2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide (PubChem CID 71933044) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide
PubChem CID71933044
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCC(c2nncn2C)CC1
InChIInChI=1S/C12H21N5O/c1-3-10(11(13)18)17-6-4-9(5-7-17)12-15-14-8-16(12)2/h8-10H,3-7H2,1-2H3,(H2,13,18)
InChIKeyRXJQZSZEPRBKFX-UHFFFAOYSA-N
XLogP0.26
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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]butanamide?
The IUPAC name of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide (CID 71933044) is 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide?
The canonical SMILES for 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide is CCC(C(N)=O)N1CCC(c2nncn2C)CC1.
What is the InChIKey of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide?
The InChIKey is RXJQZSZEPRBKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-10(11(13)18)17-6-4-9(5-7-17)12-15-14-8-16(12)2/h8-10H,3-7H2,1-2H3,(H2,13,18).
What are the key properties of 2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide?
2-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butanamide has a molecular weight of 251.33 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 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]butanamide is sourced from PubChem (CID 71933044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).