6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one

C19H22N4O2 — CID 22163814

IUPAC6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(CCCN3CCN(c4ccccn4)CC3)cc2o1
InChIInChI=1S/C19H22N4O2/c24-19-21-16-7-6-15(14-17(16)25-19)4-3-9-22-10-12-23(13-11-22)18-5-1-2-8-20-18/h1-2,5-8,14H,3-4,9-13H2,(H,21,24)
InChIKeyDRKCMJWEUDFQPH-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.27
Rot. Bonds5

About 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one

6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one (PubChem CID 22163814) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one
PubChem CID22163814
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(CCCN3CCN(c4ccccn4)CC3)cc2o1
InChIInChI=1S/C19H22N4O2/c24-19-21-16-7-6-15(14-17(16)25-19)4-3-9-22-10-12-23(13-11-22)18-5-1-2-8-20-18/h1-2,5-8,14H,3-4,9-13H2,(H,21,24)
InChIKeyDRKCMJWEUDFQPH-UHFFFAOYSA-N
XLogP2.27
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-3H-1,3-benzoxazol-2-one
CID 10809803
6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-3H-1,3-benzoxazol-2-one
CID 13343526
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
N-benzyl-2-oxo-6-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-benzimidazole-1-carboxamide
CID 23393915
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
6-(5-aminopentyl)-3H-1,3-benzoxazol-2-one
CID 96672161
6-[3-(4-phenylpiperazin-1-yl)propyl]-1,4-dihydroquinoxaline-2,3-dione
CID 11089822
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one (CID 22163814) is 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(CCCN3CCN(c4ccccn4)CC3)cc2o1.
What is the InChIKey of 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is DRKCMJWEUDFQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-19-21-16-7-6-15(14-17(16)25-19)4-3-9-22-10-12-23(13-11-22)18-5-1-2-8-20-18/h1-2,5-8,14H,3-4,9-13H2,(H,21,24).
What are the key properties of 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one?
6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 22163814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).