N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide

C25H26N4O3S — CID 17446228

IUPACN'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C25H26N4O3S/c30-23(10-11-28-12-14-29(15-13-28)19-6-2-1-3-7-19)26-27-25(31)22-16-18-17-32-21-9-5-4-8-20(21)24(18)33-22/h1-9,16H,10-15,17H2,(H,26,30)(H,27,31)
InChIKeyPOFBELBSYYFLRW-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.28
Rot. Bonds5

About N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide

N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide (PubChem CID 17446228) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
PubChem CID17446228
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC NameN'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc2c(s1)-c1ccccc1OC2
InChIInChI=1S/C25H26N4O3S/c30-23(10-11-28-12-14-29(15-13-28)19-6-2-1-3-7-19)26-27-25(31)22-16-18-17-32-21-9-5-4-8-20(21)24(18)33-22/h1-9,16H,10-15,17H2,(H,26,30)(H,27,31)
InChIKeyPOFBELBSYYFLRW-UHFFFAOYSA-N
XLogP3.28
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
N'-(3-methylbutanoyl)-4H-thieno[3,2-c]chromene-2-carbohydrazide
CID 24543025
[4-(3-methylphenyl)piperazin-1-yl]-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 25398083
4H-thieno[3,2-c]chromene-2-carboxylate
CID 2113887
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075
3-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 24979593
N-(1-methyl-6-oxo-3-pyridinyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 71938599
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877886
2-methyl-2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119199749
2-(4H-thieno[3,2-c]chromene-2-carbonylamino)butanoic acid
CID 119224142
(4-benzylpiperidin-1-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone
CID 20877862
N-[3-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]propyl]-4H-thieno[3,2-c]chromene-2-carboxamide
CID 92666787

Frequently Asked Questions

What is the IUPAC name of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The IUPAC name of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide (CID 17446228) is N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide.
What is the SMILES notation for N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The canonical SMILES for N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide is O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1cc2c(s1)-c1ccccc1OC2.
What is the InChIKey of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide?
The InChIKey is POFBELBSYYFLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c30-23(10-11-28-12-14-29(15-13-28)19-6-2-1-3-7-19)26-27-25(31)22-16-18-17-32-21-9-5-4-8-20(21)24(18)33-22/h1-9,16H,10-15,17H2,(H,26,30)(H,27,31).
What are the key properties of N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide?
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide has a molecular weight of 462.58 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(4-phenylpiperazin-1-yl)propanoyl]-4H-thieno[3,2-c]chromene-2-carbohydrazide is sourced from PubChem (CID 17446228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).