N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide

C25H32N4O3 — CID 17463637

IUPACN-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
SMILESCCCCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H32N4O3/c1-2-3-13-26-23(30)19-28-14-16-29(17-15-28)24(31)18-27-25(32)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,26,30)(H,27,32)
InChIKeyMBJWFTWJJZTNEV-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.14
Rot. Bonds9

About N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide

N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide (PubChem CID 17463637) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
PubChem CID17463637
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
SMILESCCCCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H32N4O3/c1-2-3-13-26-23(30)19-28-14-16-29(17-15-28)24(31)18-27-25(32)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,26,30)(H,27,32)
InChIKeyMBJWFTWJJZTNEV-UHFFFAOYSA-N
XLogP2.14
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 18140475
N-butyl-4-phenylbenzamide
CID 3637649
N-butyl-2-[4-[2-oxo-2-[[(1R)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653763
N-butyl-2-[4-[2-oxo-2-[[(1S)-1-(4-phenylphenyl)ethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 30653757
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-butyl-2-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 43020083
N-butyl-2-[4-[2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]acetyl]piperazin-1-yl]acetamide
CID 8865534
N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethyl]-4-phenylbenzamide
CID 35857881
N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 35615572
N-butyl-2-[4-(4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 27741719
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
The IUPAC name of N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide (CID 17463637) is N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide.
What is the SMILES notation for N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
The canonical SMILES for N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide is CCCCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
The InChIKey is MBJWFTWJJZTNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-2-3-13-26-23(30)19-28-14-16-29(17-15-28)24(31)18-27-25(32)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-12H,2-3,13-19H2,1H3,(H,26,30)(H,27,32).
What are the key properties of N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide?
N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide has a molecular weight of 436.56 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide is sourced from PubChem (CID 17463637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).