5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide

C21H27N3O — CID 45484395

IUPAC5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C21H27N3O/c25-21(8-2-5-16-24-14-3-1-4-15-24)23-20-11-9-18(10-12-20)19-7-6-13-22-17-19/h6-7,9-13,17H,1-5,8,14-16H2,(H,23,25)
InChIKeyUVAUREKIKQFMEO-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.34
Rot. Bonds7

About 5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide

5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide (PubChem CID 45484395) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is 5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide.

Molecular Properties

Compound Name5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide
PubChem CID45484395
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC Name5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide
SMILESO=C(CCCCN1CCCCC1)Nc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C21H27N3O/c25-21(8-2-5-16-24-14-3-1-4-15-24)23-20-11-9-18(10-12-20)19-7-6-13-22-17-19/h6-7,9-13,17H,1-5,8,14-16H2,(H,23,25)
InChIKeyUVAUREKIKQFMEO-UHFFFAOYSA-N
XLogP4.34
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide?
The IUPAC name of 5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide (CID 45484395) is 5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide.
What is the SMILES notation for 5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide?
The canonical SMILES for 5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide is O=C(CCCCN1CCCCC1)Nc1ccc(-c2cccnc2)cc1.
What is the InChIKey of 5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide?
The InChIKey is UVAUREKIKQFMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c25-21(8-2-5-16-24-14-3-1-4-15-24)23-20-11-9-18(10-12-20)19-7-6-13-22-17-19/h6-7,9-13,17H,1-5,8,14-16H2,(H,23,25).
What are the key properties of 5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide?
5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide has a molecular weight of 337.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-N-(4-pyridin-3-ylphenyl)pentanamide is sourced from PubChem (CID 45484395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).