N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide

C10H17N5O — CID 43603720

IUPACN-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCNC1)n1cncn1
InChIInChI=1S/C10H17N5O/c1-8(15-7-12-6-13-15)10(16)14-9-3-2-4-11-5-9/h6-9,11H,2-5H2,1H3,(H,14,16)
InChIKeyJODQKDQEDZIMPG-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.29
Rot. Bonds3

About N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide

N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43603720) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43603720
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)NC1CCCNC1)n1cncn1
InChIInChI=1S/C10H17N5O/c1-8(15-7-12-6-13-15)10(16)14-9-3-2-4-11-5-9/h6-9,11H,2-5H2,1H3,(H,14,16)
InChIKeyJODQKDQEDZIMPG-UHFFFAOYSA-N
XLogP-0.29
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide (CID 43603720) is N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)NC1CCCNC1)n1cncn1.
What is the InChIKey of N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JODQKDQEDZIMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-8(15-7-12-6-13-15)10(16)14-9-3-2-4-11-5-9/h6-9,11H,2-5H2,1H3,(H,14,16).
What are the key properties of N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide?
N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 223.28 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43603720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).