4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide

C16H24N4O3 — CID 119391361

IUPAC4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESNC(=O)COc1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C16H24N4O3/c17-15(21)12-23-14-4-2-13(3-5-14)16(22)19-6-1-9-20-10-7-18-8-11-20/h2-5,18H,1,6-12H2,(H2,17,21)(H,19,22)
InChIKeyVRSUNEQWDZNMPX-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.42
Rot. Bonds8

About 4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide

4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide (PubChem CID 119391361) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
PubChem CID119391361
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
SMILESNC(=O)COc1ccc(C(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C16H24N4O3/c17-15(21)12-23-14-4-2-13(3-5-14)16(22)19-6-1-9-20-10-7-18-8-11-20/h2-5,18H,1,6-12H2,(H2,17,21)(H,19,22)
InChIKeyVRSUNEQWDZNMPX-UHFFFAOYSA-N
XLogP-0.42
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.42
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

4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
CID 119392706
N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119393853
4-[(carbamoylamino)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391112
4-(methoxymethyl)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119393714
N-(3-piperazin-1-ylpropyl)-4-(trifluoromethyl)benzamide;hydrochloride
CID 119391119
4-(2-amino-2-oxoethoxy)-N-(3-methoxypropyl)benzamide
CID 35513931
4-methylsulfanyl-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119390747
4-phenyl-N-(4-piperazin-1-ylbutyl)benzamide
CID 144947702
4-fluoro-N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119391611
4-ethoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide
CID 119394221
4-[(4-methylpiperazin-1-yl)methyl]-N-(3-piperazin-1-ylpropyl)benzamide
CID 119390904

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide (CID 119391361) is 4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide is NC(=O)COc1ccc(C(=O)NCCCN2CCNCC2)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
The InChIKey is VRSUNEQWDZNMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c17-15(21)12-23-14-4-2-13(3-5-14)16(22)19-6-1-9-20-10-7-18-8-11-20/h2-5,18H,1,6-12H2,(H2,17,21)(H,19,22).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide?
4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide has a molecular weight of 320.39 g/mol, XLogP of -0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 119391361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).