4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one

C26H29N3O4 — CID 5322426

IUPAC4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)N1CCCc2c1c(=O)oc1ccc(O)cc21
InChIInChI=1S/C26H29N3O4/c30-20-8-9-23-22(17-20)21-7-4-11-29(25(21)26(32)33-23)24(31)10-12-27-13-15-28(16-14-27)18-19-5-2-1-3-6-19/h1-3,5-6,8-9,17,30H,4,7,10-16,18H2
InChIKeyMOUSOYJTLUGPLO-UHFFFAOYSA-N
MW447.54 g/mol
LogP2.99
Rot. Bonds5

About 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one

4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one (PubChem CID 5322426) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one
PubChem CID5322426
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one
SMILESO=C(CCN1CCN(Cc2ccccc2)CC1)N1CCCc2c1c(=O)oc1ccc(O)cc21
InChIInChI=1S/C26H29N3O4/c30-20-8-9-23-22(17-20)21-7-4-11-29(25(21)26(32)33-23)24(31)10-12-27-13-15-28(16-14-27)18-19-5-2-1-3-6-19/h1-3,5-6,8-9,17,30H,4,7,10-16,18H2
InChIKeyMOUSOYJTLUGPLO-UHFFFAOYSA-N
XLogP2.99
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-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

3-[3-(4-benzylpiperazin-1-yl)propanoyl]-7-hydroxychromen-2-one
CID 155543148
3-benzyl-8-hydroxy-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
CID 13381781
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
3-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 109015843
3-[4-(4-benzylpiperazin-1-yl)butoxy]-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 78427207
4-(4-benzylpiperazin-1-yl)butan-2-one;ethane
CID 91431275
3-(4-benzyl-1,4-diazepan-1-yl)-N-carbamoylpropanamide
CID 134033685
3-(4-benzylpiperazin-1-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 155565209
1-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-piperidin-1-ylpropan-1-one;dihydrochloride
CID 19375517
3-(4-benzylpiperazin-1-yl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]propanamide
CID 136714219
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one?
The IUPAC name of 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one (CID 5322426) is 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one.
What is the SMILES notation for 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one?
The canonical SMILES for 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one is O=C(CCN1CCN(Cc2ccccc2)CC1)N1CCCc2c1c(=O)oc1ccc(O)cc21.
What is the InChIKey of 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one?
The InChIKey is MOUSOYJTLUGPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c30-20-8-9-23-22(17-20)21-7-4-11-29(25(21)26(32)33-23)24(31)10-12-27-13-15-28(16-14-27)18-19-5-2-1-3-6-19/h1-3,5-6,8-9,17,30H,4,7,10-16,18H2.
What are the key properties of 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one?
4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one has a molecular weight of 447.54 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-benzylpiperazin-1-yl)propanoyl]-9-hydroxy-2,3-dihydro-1H-chromeno[3,4-b]pyridin-5-one is sourced from PubChem (CID 5322426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).