N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide

C11H19N5O — CID 141407260

IUPACN-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]n1)NC1CCNCC1
InChIInChI=1S/C11H19N5O/c17-11(14-9-4-6-12-7-5-9)3-1-2-10-8-13-16-15-10/h8-9,12H,1-7H2,(H,14,17)(H,13,15,16)
InChIKeyPTGURDIEBJWJFY-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.00
Rot. Bonds5

About N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide

N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide (PubChem CID 141407260) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide.

Molecular Properties

Compound NameN-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide
PubChem CID141407260
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]n1)NC1CCNCC1
InChIInChI=1S/C11H19N5O/c17-11(14-9-4-6-12-7-5-9)3-1-2-10-8-13-16-15-10/h8-9,12H,1-7H2,(H,14,17)(H,13,15,16)
InChIKeyPTGURDIEBJWJFY-UHFFFAOYSA-N
XLogP-0.00
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide?
The IUPAC name of N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide (CID 141407260) is N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide.
What is the SMILES notation for N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide?
The canonical SMILES for N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide is O=C(CCCc1cn[nH]n1)NC1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide?
The InChIKey is PTGURDIEBJWJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c17-11(14-9-4-6-12-7-5-9)3-1-2-10-8-13-16-15-10/h8-9,12H,1-7H2,(H,14,17)(H,13,15,16).
What are the key properties of N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide?
N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide has a molecular weight of 237.31 g/mol, XLogP of -0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-(2H-triazol-4-yl)butanamide is sourced from PubChem (CID 141407260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).