4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide

C20H32N4O2 — CID 20934235

IUPAC4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide
SMILESCCCCCN(CC(=O)N1CCNCC1)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H32N4O2/c1-4-5-6-13-24(16-19(25)23-14-11-21-12-15-23)20(26)17-7-9-18(10-8-17)22(2)3/h7-10,21H,4-6,11-16H2,1-3H3
InChIKeyNWUSGZLSMFGJQG-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.82
Rot. Bonds8

About 4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide

4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide (PubChem CID 20934235) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide
PubChem CID20934235
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide
SMILESCCCCCN(CC(=O)N1CCNCC1)C(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H32N4O2/c1-4-5-6-13-24(16-19(25)23-14-11-21-12-15-23)20(26)17-7-9-18(10-8-17)22(2)3/h7-10,21H,4-6,11-16H2,1-3H3
InChIKeyNWUSGZLSMFGJQG-UHFFFAOYSA-N
XLogP1.82
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide;2,2,2-trifluoroacetic acid
CID 146058421
4-ethyl-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119454501
4-methoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 46333078
4-cyano-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide;2,2,2-trifluoroacetic acid
CID 146071297
4-butoxy-N-ethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779310
4-ethoxy-N-(3-morpholin-4-ylpropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46332972
3-acetamido-N-(3-oxo-3-piperazin-1-ylpropyl)-N-pentylbenzamide
CID 50779389
3-(dimethylamino)-N-[(3-ethoxyphenyl)methyl]-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 20934294
4-bromo-N-butyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057504
3-methoxy-N-(3-methoxypropyl)-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 46333040
3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide
CID 20934261
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)-N-(3-piperidin-1-ylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146065491

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide?
The IUPAC name of 4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide (CID 20934235) is 4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide?
The canonical SMILES for 4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide is CCCCCN(CC(=O)N1CCNCC1)C(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide?
The InChIKey is NWUSGZLSMFGJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-4-5-6-13-24(16-19(25)23-14-11-21-12-15-23)20(26)17-7-9-18(10-8-17)22(2)3/h7-10,21H,4-6,11-16H2,1-3H3.
What are the key properties of 4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide?
4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide has a molecular weight of 360.50 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-pentylbenzamide is sourced from PubChem (CID 20934235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).