3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

C18H27N3O4 — CID 46333040

IUPAC3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCOCCCN(CC(=O)N1CCNCC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C18H27N3O4/c1-24-12-4-9-21(14-17(22)20-10-7-19-8-11-20)18(23)15-5-3-6-16(13-15)25-2/h3,5-6,13,19H,4,7-12,14H2,1-2H3
InChIKeyBDFMAVQQTLKEDH-UHFFFAOYSA-N
MW349.43 g/mol
LogP0.61
Rot. Bonds8

About 3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide

3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (PubChem CID 46333040) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
PubChem CID46333040
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
SMILESCOCCCN(CC(=O)N1CCNCC1)C(=O)c1cccc(OC)c1
InChIInChI=1S/C18H27N3O4/c1-24-12-4-9-21(14-17(22)20-10-7-19-8-11-20)18(23)15-5-3-6-16(13-15)25-2/h3,5-6,13,19H,4,7-12,14H2,1-2H3
InChIKeyBDFMAVQQTLKEDH-UHFFFAOYSA-N
XLogP0.61
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-piperidin-1-ylethyl)benzamide
CID 20934287
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 50779419
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474
N-[(3-chlorophenyl)methyl]-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779674
4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 46333078
4-cyano-N-[(3-methoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 146058429
4-bromo-N-(3-methoxypropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779713
N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 4985803
N-[2-[(4R)-4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-methoxy-N-(3-methoxypropyl)benzamide
CID 92950212
3-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide;2,2,2-trifluoroacetic acid
CID 146058421
3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propan-2-ylbenzamide;2,2,2-trifluoroacetic acid
CID 146057245
3,4,5-trimethoxy-N-[(3-methoxyphenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779334

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The IUPAC name of 3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide (CID 46333040) is 3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The canonical SMILES for 3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is COCCCN(CC(=O)N1CCNCC1)C(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
The InChIKey is BDFMAVQQTLKEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-24-12-4-9-21(14-17(22)20-10-7-19-8-11-20)18(23)15-5-3-6-16(13-15)25-2/h3,5-6,13,19H,4,7-12,14H2,1-2H3.
What are the key properties of 3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide?
3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide has a molecular weight of 349.43 g/mol, XLogP of 0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide is sourced from PubChem (CID 46333040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).