Centpropazine

C22H28N2O3 — CID 118176

IUPAC1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
SMILESCCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
InChIInChI=1S/C22H28N2O3/c1-2-22(26)18-8-10-21(11-9-18)27-17-20(25)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,20,25H,2,12-17H2,1H3
InChIKeyZQPXSRTZFYHSFB-UHFFFAOYSA-N
MW368.50 g/mol
LogP3.10
Rot. Bonds8

About Centpropazine

Centpropazine (PubChem CID 118176) has the molecular formula C22H28N2O3 and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one.

Molecular Properties

Compound NameCentpropazine
PubChem CID118176
Molecular FormulaC22H28N2O3
Molecular Weight368.50 g/mol
Exact Mass368.21
IUPAC Name1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
SMILESCCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
InChIInChI=1S/C22H28N2O3/c1-2-22(26)18-8-10-21(11-9-18)27-17-20(25)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,20,25H,2,12-17H2,1H3
InChIKeyZQPXSRTZFYHSFB-UHFFFAOYSA-N
XLogP3.10
TPSA53.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity437

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-Dimethyl-4-methoxybenzoyl)-4-(2-ethoxyphenyl)piperazine
CID 455378
4-Methoxyphenyl 4-(2-methoxyphenyl)piperazinyl ketone
CID 722098
1-(4-(3-(4-(4-Fluorophenyl)piperazin-1-yl)-2-hydroxypropoxy)-3-methoxyphenyl)ethanone
CID 2946224
1-(3-Methoxy-phenyl)-4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butan-1-one
CID 11726532
N-[4-(4-morpholinylmethyl)phenyl]-4-propoxybenzamide
CID 1617297
1-(4-Ethoxyphenyl)-4-[4-(4-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 2407509
4-sec-butoxy-N-[4-(4-morpholinylmethyl)phenyl]benzamide
CID 2940925
N-(2-piperidin-1-ylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7550953
1-(4-Ethoxyphenyl)-4-[4-(2-hydroxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9154295
N-(4-methylphenyl)-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9169702
1-(2-(2-Hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy)phenyl)-3-phenylpropan-1-one
CID 10004336
3-[4-(2-Fluorophenyl)-1-piperazinyl]-1-(4-methoxyphenyl)-1-propanone
CID 16189717

Frequently Asked Questions

What is the IUPAC name of Centpropazine?
The IUPAC name of Centpropazine (CID 118176) is 1-[4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one.
What is the SMILES notation for Centpropazine?
The canonical SMILES for Centpropazine is CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O.
What is the InChIKey of Centpropazine?
The InChIKey is ZQPXSRTZFYHSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-22(26)18-8-10-21(11-9-18)27-17-20(25)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,20,25H,2,12-17H2,1H3.
What are the key properties of Centpropazine?
Centpropazine has a molecular weight of 368.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Centpropazine is sourced from PubChem (CID 118176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).