N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide

C23H36N4O3 — CID 56538874

IUPACN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H36N4O3/c1-3-13-26(14-4-2)22(29)12-8-11-21(28)24-19-23(30)27-17-15-25(16-18-27)20-9-6-5-7-10-20/h5-7,9-10H,3-4,8,11-19H2,1-2H3,(H,24,28)
InChIKeyHVLKNYQVVCOUTM-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.27
Rot. Bonds11

About N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide

N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide (PubChem CID 56538874) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide
PubChem CID56538874
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC NameN-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H36N4O3/c1-3-13-26(14-4-2)22(29)12-8-11-21(28)24-19-23(30)27-17-15-25(16-18-27)20-9-6-5-7-10-20/h5-7,9-10H,3-4,8,11-19H2,1-2H3,(H,24,28)
InChIKeyHVLKNYQVVCOUTM-UHFFFAOYSA-N
XLogP2.27
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pentanamide
CID 51097137
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 60608501
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
1,1-dimethyl-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]urea
CID 110371190
N-(2-methyl-2-phenylpropyl)-N',N'-dipropylpentanediamide
CID 56540899
1-butylsulfonyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097466
4-butoxy-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 7923150
N'-(2-cyanoethyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N'-phenylbutanediamide
CID 56513603
1-(dimethylsulfamoyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 113097467
3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxo-N,N-dipropylpropanamide
CID 108950423
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
2-methyl-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-propylguanidine;hydroiodide
CID 111228438

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide?
The IUPAC name of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide (CID 56538874) is N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide.
What is the SMILES notation for N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide?
The canonical SMILES for N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide?
The InChIKey is HVLKNYQVVCOUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-3-13-26(14-4-2)22(29)12-8-11-21(28)24-19-23(30)27-17-15-25(16-18-27)20-9-6-5-7-10-20/h5-7,9-10H,3-4,8,11-19H2,1-2H3,(H,24,28).
What are the key properties of N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide?
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide has a molecular weight of 416.57 g/mol, XLogP of 2.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-N',N'-dipropylpentanediamide is sourced from PubChem (CID 56538874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).