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

C16H21N5O — CID 51092053

IUPACN-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(N2CCCCC2)c1)n1cncn1
InChIInChI=1S/C16H21N5O/c1-13(21-12-17-11-18-21)16(22)19-14-6-5-7-15(10-14)20-8-3-2-4-9-20/h5-7,10-13H,2-4,8-9H2,1H3,(H,19,22)
InChIKeyCMGNJZGAASBSBT-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.47
Rot. Bonds4

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

N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 51092053) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID51092053
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(N2CCCCC2)c1)n1cncn1
InChIInChI=1S/C16H21N5O/c1-13(21-12-17-11-18-21)16(22)19-14-6-5-7-15(10-14)20-8-3-2-4-9-20/h5-7,10-13H,2-4,8-9H2,1H3,(H,19,22)
InChIKeyCMGNJZGAASBSBT-UHFFFAOYSA-N
XLogP2.47
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 51092053) is N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)Nc1cccc(N2CCCCC2)c1)n1cncn1.
What is the InChIKey of N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is CMGNJZGAASBSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-13(21-12-17-11-18-21)16(22)19-14-6-5-7-15(10-14)20-8-3-2-4-9-20/h5-7,10-13H,2-4,8-9H2,1H3,(H,19,22).
What are the key properties of N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 299.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylphenyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 51092053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).