N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide

C23H33N3O3 — CID 35358956

IUPACN-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C23H33N3O3/c1-2-3-11-24-22(28)17-25-12-14-26(15-13-25)23(29)10-9-21(27)20-8-7-18-5-4-6-19(18)16-20/h7-8,16H,2-6,9-15,17H2,1H3,(H,24,28)
InChIKeyMPUOSBDALQSRDG-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.20
Rot. Bonds9

About N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide

N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide (PubChem CID 35358956) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide
PubChem CID35358956
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC NameN-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide
SMILESCCCCNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C23H33N3O3/c1-2-3-11-24-22(28)17-25-12-14-26(15-13-25)23(29)10-9-21(27)20-8-7-18-5-4-6-19(18)16-20/h7-8,16H,2-6,9-15,17H2,1H3,(H,24,28)
InChIKeyMPUOSBDALQSRDG-UHFFFAOYSA-N
XLogP2.20
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.20
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

1-(aziridin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 82117888
2-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-N-propylacetamide;hydrochloride
CID 17420279
N-(3-methoxypropyl)-2-[4-(4-naphthalen-2-yl-4-oxobutanoyl)piperazin-1-yl]acetamide
CID 8945176
4-(2,3-dihydro-1H-inden-5-yl)-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51176726
1-[2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 55821153
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-(dimethylamino)propyl]-4-oxobutanamide
CID 94314016
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119505484
4-oxo-N-(2-piperazin-1-ylethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 119448949
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 38391869
N-butyl-2-[4-(2,3-dihydro-1-benzofuran-5-carbonyl)piperazin-1-yl]acetamide
CID 46581225
1-(2,3-dihydro-1H-inden-5-yl)-4-[4-(thiophen-3-ylmethyl)piperazin-1-yl]butane-1,4-dione
CID 35678899

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide (CID 35358956) is N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide is CCCCNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide?
The InChIKey is MPUOSBDALQSRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-2-3-11-24-22(28)17-25-12-14-26(15-13-25)23(29)10-9-21(27)20-8-7-18-5-4-6-19(18)16-20/h7-8,16H,2-6,9-15,17H2,1H3,(H,24,28).
What are the key properties of N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide?
N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide has a molecular weight of 399.54 g/mol, XLogP of 2.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 35358956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).