3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride

C19H29ClN4O3 — CID 120980904

IUPAC3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(CCC(=O)N3CCNCC3)CC2)c1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-26-17-4-2-3-16(15-17)19(25)23-13-11-21(12-14-23)8-5-18(24)22-9-6-20-7-10-22;/h2-4,15,20H,5-14H2,1H3;1H
InChIKeyBAPWIJIKZAXCMS-UHFFFAOYSA-N
MW396.92 g/mol
LogP0.70
Rot. Bonds5

About 3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980904) has the molecular formula C19H29ClN4O3 and a molecular weight of 396.92 g/mol. Its IUPAC name is 3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980904
Molecular FormulaC19H29ClN4O3
Molecular Weight396.92 g/mol
Exact Mass396.19
IUPAC Name3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCOc1cccc(C(=O)N2CCN(CCC(=O)N3CCNCC3)CC2)c1.Cl
InChIInChI=1S/C19H28N4O3.ClH/c1-26-17-4-2-3-16(15-17)19(25)23-13-11-21(12-14-23)8-5-18(24)22-9-6-20-7-10-22;/h2-4,15,20H,5-14H2,1H3;1H
InChIKeyBAPWIJIKZAXCMS-UHFFFAOYSA-N
XLogP0.70
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-methoxyphenyl)-[4-(piperidin-4-ylmethyl)piperazin-1-yl]methanone
CID 119930350
3-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982661
3-(dimethylamino)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 110603347
[4-(3-aminopropyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 28705903
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108534205
[4-[2-(2,5-dimethylpyrrol-1-yl)ethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 23905789
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 50779419
3-imidazol-1-yl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]propan-1-one
CID 70787388
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 70743445
3-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980718
3-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981002
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 38047605

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980904) is 3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride is COc1cccc(C(=O)N2CCN(CCC(=O)N3CCNCC3)CC2)c1.Cl.
What is the InChIKey of 3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is BAPWIJIKZAXCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3.ClH/c1-26-17-4-2-3-16(15-17)19(25)23-13-11-21(12-14-23)8-5-18(24)22-9-6-20-7-10-22;/h2-4,15,20H,5-14H2,1H3;1H.
What are the key properties of 3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methoxybenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).