N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide

C25H28N4O — CID 70692100

IUPACN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O/c30-25(20-23-6-4-5-14-26-23)27-22-11-9-21(10-12-22)13-15-28-16-18-29(19-17-28)24-7-2-1-3-8-24/h1-12,14H,13,15-20H2,(H,27,30)
InChIKeyICADOZGMHMZBEZ-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.63
Rot. Bonds7

About N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide

N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide (PubChem CID 70692100) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide
PubChem CID70692100
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC NameN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C25H28N4O/c30-25(20-23-6-4-5-14-26-23)27-22-11-9-21(10-12-22)13-15-28-16-18-29(19-17-28)24-7-2-1-3-8-24/h1-12,14H,13,15-20H2,(H,27,30)
InChIKeyICADOZGMHMZBEZ-UHFFFAOYSA-N
XLogP3.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide (CID 70692100) is N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)Nc1ccc(CCN2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide?
The InChIKey is ICADOZGMHMZBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-25(20-23-6-4-5-14-26-23)27-22-11-9-21(10-12-22)13-15-28-16-18-29(19-17-28)24-7-2-1-3-8-24/h1-12,14H,13,15-20H2,(H,27,30).
What are the key properties of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide?
N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide has a molecular weight of 400.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]phenyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 70692100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).