2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

C25H31N3O2 — CID 108510874

IUPAC2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H31N3O2/c1-2-23(21-13-12-19-8-6-7-9-20(19)18-21)26-24(29)25(30)28-16-14-27(15-17-28)22-10-4-3-5-11-22/h3-5,10-13,18,23H,2,6-9,14-17H2,1H3,(H,26,29)
InChIKeyQWGATUWLMDUEAE-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.48
Rot. Bonds4

About 2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide

2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (PubChem CID 108510874) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
PubChem CID108510874
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
SMILESCCC(NC(=O)C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C25H31N3O2/c1-2-23(21-13-12-19-8-6-7-9-20(19)18-21)26-24(29)25(30)28-16-14-27(15-17-28)22-10-4-3-5-11-22/h3-5,10-13,18,23H,2,6-9,14-17H2,1H3,(H,26,29)
InChIKeyQWGATUWLMDUEAE-UHFFFAOYSA-N
XLogP3.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 108505562
2-(2-ethylpiperidin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 108510763
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510725
(E)-3-(2-chlorophenyl)-2-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]prop-2-enamide
CID 133191082
N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510807
4-oxo-4-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 108795925
2-(4-formylpiperazin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 108511292
methyl 4-[(Z)-2-cyano-3-oxo-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propylamino]prop-1-enyl]piperazine-1-carboxylate
CID 108848387
N-(2-ethyl-6-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510687

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The IUPAC name of 2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide (CID 108510874) is 2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide.
What is the SMILES notation for 2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The canonical SMILES for 2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is CCC(NC(=O)C(=O)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
The InChIKey is QWGATUWLMDUEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-2-23(21-13-12-19-8-6-7-9-20(19)18-21)26-24(29)25(30)28-16-14-27(15-17-28)22-10-4-3-5-11-22/h3-5,10-13,18,23H,2,6-9,14-17H2,1H3,(H,26,29).
What are the key properties of 2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide?
2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide has a molecular weight of 405.54 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(4-phenylpiperazin-1-yl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide is sourced from PubChem (CID 108510874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).