N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C27H26N4O — CID 653459

IUPACN-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)N(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H26N4O/c32-27(21-29-16-18-30(19-17-29)26-12-6-7-15-28-26)31(24-10-2-1-3-11-24)25-14-13-22-8-4-5-9-23(22)20-25/h1-15,20H,16-19,21H2
InChIKeyDKNHGLHDCHHTIL-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.72
Rot. Bonds5

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

N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 653459) has the molecular formula C27H26N4O and a molecular weight of 422.53 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID653459
Molecular FormulaC27H26N4O
Molecular Weight422.53 g/mol
Exact Mass422.21
IUPAC NameN-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccccn2)CC1)N(c1ccccc1)c1ccc2ccccc2c1
InChIInChI=1S/C27H26N4O/c32-27(21-29-16-18-30(19-17-29)26-12-6-7-15-28-26)31(24-10-2-1-3-11-24)25-14-13-22-8-4-5-9-23(22)20-25/h1-15,20H,16-19,21H2
InChIKeyDKNHGLHDCHHTIL-UHFFFAOYSA-N
XLogP4.72
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 653459) is N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccccn2)CC1)N(c1ccccc1)c1ccc2ccccc2c1.
What is the InChIKey of N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is DKNHGLHDCHHTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O/c32-27(21-29-16-18-30(19-17-29)26-12-6-7-15-28-26)31(24-10-2-1-3-11-24)25-14-13-22-8-4-5-9-23(22)20-25/h1-15,20H,16-19,21H2.
What are the key properties of N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 422.53 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 653459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).