N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

C21H29N5O — CID 5056435

IUPACN-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H29N5O/c1-3-25(4-2)19-10-8-18(9-11-19)23-21(27)17-24-13-15-26(16-14-24)20-7-5-6-12-22-20/h5-12H,3-4,13-17H2,1-2H3,(H,23,27)
InChIKeyGIGGQBJYGOWIPY-UHFFFAOYSA-N
MW367.50 g/mol
LogP2.69
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide

N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (PubChem CID 5056435) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
PubChem CID5056435
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
SMILESCCN(CC)c1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H29N5O/c1-3-25(4-2)19-10-8-18(9-11-19)23-21(27)17-24-13-15-26(16-14-24)20-7-5-6-12-22-20/h5-12H,3-4,13-17H2,1-2H3,(H,23,27)
InChIKeyGIGGQBJYGOWIPY-UHFFFAOYSA-N
XLogP2.69
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide (CID 5056435) is N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is CCN(CC)c1ccc(NC(=O)CN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is GIGGQBJYGOWIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-3-25(4-2)19-10-8-18(9-11-19)23-21(27)17-24-13-15-26(16-14-24)20-7-5-6-12-22-20/h5-12H,3-4,13-17H2,1-2H3,(H,23,27).
What are the key properties of N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide?
N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 367.50 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 5056435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).