N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C18H29N3O4 — CID 119393671

IUPACN-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCCN2CCNCC2)cc(OC)c1OC
InChIInChI=1S/C18H29N3O4/c1-23-15-11-14(12-16(24-2)18(15)25-3)13-17(22)20-5-4-8-21-9-6-19-7-10-21/h11-12,19H,4-10,13H2,1-3H3,(H,20,22)
InChIKeyXEPOBSVRBUGLQN-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.67
Rot. Bonds9

About N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 119393671) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID119393671
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC NameN-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)NCCCN2CCNCC2)cc(OC)c1OC
InChIInChI=1S/C18H29N3O4/c1-23-15-11-14(12-16(24-2)18(15)25-3)13-17(22)20-5-4-8-21-9-6-19-7-10-21/h11-12,19H,4-10,13H2,1-3H3,(H,20,22)
InChIKeyXEPOBSVRBUGLQN-UHFFFAOYSA-N
XLogP0.67
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392447
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
3-chloro-4-ethoxy-5-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391318
3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394510
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029
4-bromo-2-methoxy-N-(3-piperazin-1-ylpropyl)benzamide
CID 81464328
N-(3-piperazin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119393716
2-(2,5-dimethoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119446777
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251

Frequently Asked Questions

What is the IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 119393671) is N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)NCCCN2CCNCC2)cc(OC)c1OC.
What is the InChIKey of N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is XEPOBSVRBUGLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-23-15-11-14(12-16(24-2)18(15)25-3)13-17(22)20-5-4-8-21-9-6-19-7-10-21/h11-12,19H,4-10,13H2,1-3H3,(H,20,22).
What are the key properties of N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 0.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 119393671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).