N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C18H22N4O — CID 4595252

IUPACN-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H22N4O/c1-15(18(23)20-16-7-3-2-4-8-16)21-11-13-22(14-12-21)17-9-5-6-10-19-17/h2-10,15H,11-14H2,1H3,(H,20,23)
InChIKeyOIXAWEDXZJXISR-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.23
Rot. Bonds4

About N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 4595252) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID4595252
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C18H22N4O/c1-15(18(23)20-16-7-3-2-4-8-16)21-11-13-22(14-12-21)17-9-5-6-10-19-17/h2-10,15H,11-14H2,1H3,(H,20,23)
InChIKeyOIXAWEDXZJXISR-UHFFFAOYSA-N
XLogP2.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 4595252) is N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CC(C(=O)Nc1ccccc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is OIXAWEDXZJXISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-15(18(23)20-16-7-3-2-4-8-16)21-11-13-22(14-12-21)17-9-5-6-10-19-17/h2-10,15H,11-14H2,1H3,(H,20,23).
What are the key properties of N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 4595252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).