3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide

C18H29N3O3 — CID 119391567

IUPAC3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCOCCCOc1cccc(C(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C18H29N3O3/c1-23-13-4-14-24-17-6-2-5-16(15-17)18(22)20-7-3-10-21-11-8-19-9-12-21/h2,5-6,15,19H,3-4,7-14H2,1H3,(H,20,22)
InChIKeyPVZUCALSHFBBSD-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.13
Rot. Bonds10

About 3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide

3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119391567) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119391567
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESCOCCCOc1cccc(C(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C18H29N3O3/c1-23-13-4-14-24-17-6-2-5-16(15-17)18(22)20-7-3-10-21-11-8-19-9-12-21/h2,5-6,15,19H,3-4,7-14H2,1H3,(H,20,22)
InChIKeyPVZUCALSHFBBSD-UHFFFAOYSA-N
XLogP1.13
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119444759
N-(2-piperazin-1-ylethyl)-3-propoxybenzamide
CID 62050340
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
3-ethoxy-N-(2-piperazin-1-ylethyl)benzamide
CID 119447922
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
N-(3-piperazin-1-ylpropyl)-3-(thiophen-2-ylmethoxy)benzamide;hydrochloride
CID 119394379
3-(3-methoxypropoxy)-N-piperidin-4-ylbenzamide
CID 119386846
3-N-ethyl-3-N-methyl-1-N-(3-piperazin-1-ylpropyl)benzene-1,3-dicarboxamide
CID 119394571
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
1-N-(3-piperazin-1-ylpropyl)-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 119392034
3-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-(3-piperazin-1-ylpropyl)benzamide;dihydrochloride
CID 119392764

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide (CID 119391567) is 3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide is COCCCOc1cccc(C(=O)NCCCN2CCNCC2)c1.
What is the InChIKey of 3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is PVZUCALSHFBBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-23-13-4-14-24-17-6-2-5-16(15-17)18(22)20-7-3-10-21-11-8-19-9-12-21/h2,5-6,15,19H,3-4,7-14H2,1H3,(H,20,22).
What are the key properties of 3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 335.45 g/mol, XLogP of 1.13, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119391567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).