3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide

C17H27ClN4O2 — CID 119394510

IUPAC3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C17H27ClN4O2/c1-24-16-4-3-14(18)13-15(16)20-7-5-17(23)21-6-2-10-22-11-8-19-9-12-22/h3-4,13,19-20H,2,5-12H2,1H3,(H,21,23)
InChIKeyYANVKYWSIGQCAC-UHFFFAOYSA-N
MW354.88 g/mol
LogP1.56
Rot. Bonds9

About 3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide

3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide (PubChem CID 119394510) has the molecular formula C17H27ClN4O2 and a molecular weight of 354.88 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide
PubChem CID119394510
Molecular FormulaC17H27ClN4O2
Molecular Weight354.88 g/mol
Exact Mass354.18
IUPAC Name3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide
SMILESCOc1ccc(Cl)cc1NCCC(=O)NCCCN1CCNCC1
InChIInChI=1S/C17H27ClN4O2/c1-24-16-4-3-14(18)13-15(16)20-7-5-17(23)21-6-2-10-22-11-8-19-9-12-22/h3-4,13,19-20H,2,5-12H2,1H3,(H,21,23)
InChIKeyYANVKYWSIGQCAC-UHFFFAOYSA-N
XLogP1.56
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.88
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-3-(5-chloro-2-methoxyanilino)propanamide;dihydrochloride
CID 119385515
2-(5-chloro-2-methoxyphenyl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119444817
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
N-(3-piperazin-1-ylpropyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119393671
1-(azetidin-1-yl)-3-(5-chloro-2-methoxyanilino)propan-1-one
CID 75418068
ethyl 4-[3-(5-chloro-2-methoxyanilino)propanoyl]piperazine-1-carboxylate
CID 47824668
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
2-(5-bromo-2-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392447
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(5-chloro-2-methoxyanilino)propan-1-one
CID 120655428
1-[3-(4-benzylpiperazin-1-yl)propyl]-3-(5-chloro-2-methoxyphenyl)urea
CID 55696937
3-(5-chloro-2-methoxyanilino)-N-[2-(methylamino)propyl]propanamide
CID 120827355
2-(2,5-dichlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392216

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide?
The IUPAC name of 3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide (CID 119394510) is 3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide?
The canonical SMILES for 3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide is COc1ccc(Cl)cc1NCCC(=O)NCCCN1CCNCC1.
What is the InChIKey of 3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide?
The InChIKey is YANVKYWSIGQCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN4O2/c1-24-16-4-3-14(18)13-15(16)20-7-5-17(23)21-6-2-10-22-11-8-19-9-12-22/h3-4,13,19-20H,2,5-12H2,1H3,(H,21,23).
What are the key properties of 3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide?
3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide has a molecular weight of 354.88 g/mol, XLogP of 1.56, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyanilino)-N-(3-piperazin-1-ylpropyl)propanamide is sourced from PubChem (CID 119394510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).