3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide

C20H28N6O2 — CID 119391382

IUPAC3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C20H28N6O2/c27-19(5-11-26-14-9-22-16-26)24-18-4-1-3-17(15-18)20(28)23-6-2-10-25-12-7-21-8-13-25/h1,3-4,9,14-16,21H,2,5-8,10-13H2,(H,23,28)(H,24,27)
InChIKeyCIZZLRPWLIJOPG-UHFFFAOYSA-N
MW384.48 g/mol
LogP0.94
Rot. Bonds9

About 3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide

3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119391382) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119391382
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESO=C(CCn1ccnc1)Nc1cccc(C(=O)NCCCN2CCNCC2)c1
InChIInChI=1S/C20H28N6O2/c27-19(5-11-26-14-9-22-16-26)24-18-4-1-3-17(15-18)20(28)23-6-2-10-25-12-7-21-8-13-25/h1,3-4,9,14-16,21H,2,5-8,10-13H2,(H,23,28)(H,24,27)
InChIKeyCIZZLRPWLIJOPG-UHFFFAOYSA-N
XLogP0.94
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-benzamido-N-(3-imidazol-1-ylpropyl)benzamide
CID 4144744
3-(3-imidazol-1-ylpropanoylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119555811
N-[2-(ethylamino)ethyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide;dihydrochloride
CID 119505500
3-(3-imidazol-1-ylpropanoylamino)-N-[4-(2-piperidin-1-ylethyl)phenyl]benzamide
CID 155945950
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392891
N-(3-chlorophenyl)-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 51124263
N-[3-(3-piperazin-1-ylpropylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 119393887
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
3-(cyclopropanecarbonylamino)-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392890
N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 56562204
methyl 2-[[4-[[3-(3-imidazol-1-ylpropanoylamino)benzoyl]amino]benzoyl]amino]acetate
CID 55983857
N-[3-(dimethylsulfamoyl)phenyl]-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 55985510

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide (CID 119391382) is 3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide is O=C(CCn1ccnc1)Nc1cccc(C(=O)NCCCN2CCNCC2)c1.
What is the InChIKey of 3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is CIZZLRPWLIJOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c27-19(5-11-26-14-9-22-16-26)24-18-4-1-3-17(15-18)20(28)23-6-2-10-25-12-7-21-8-13-25/h1,3-4,9,14-16,21H,2,5-8,10-13H2,(H,23,28)(H,24,27).
What are the key properties of 3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide?
3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 0.94, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropanoylamino)-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119391382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).