2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide

C27H37N3O2 — CID 90677123

IUPAC2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(NC(=O)C(CC(=O)c2ccc(C(C)C)cc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C27H37N3O2/c1-19(2)21-6-8-23(9-7-21)26(31)18-25(30-16-14-29(5)15-17-30)27(32)28-24-12-10-22(11-13-24)20(3)4/h6-13,19-20,25H,14-18H2,1-5H3,(H,28,32)
InChIKeyRTVVGXNPCFPTOO-UHFFFAOYSA-N
MW435.61 g/mol
LogP4.76
Rot. Bonds8

About 2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide

2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide (PubChem CID 90677123) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide
PubChem CID90677123
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Name2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide
SMILESCC(C)c1ccc(NC(=O)C(CC(=O)c2ccc(C(C)C)cc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C27H37N3O2/c1-19(2)21-6-8-23(9-7-21)26(31)18-25(30-16-14-29(5)15-17-30)27(32)28-24-12-10-22(11-13-24)20(3)4/h6-13,19-20,25H,14-18H2,1-5H3,(H,28,32)
InChIKeyRTVVGXNPCFPTOO-UHFFFAOYSA-N
XLogP4.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.61
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-methylpiperazin-1-yl)-4-oxo-4-(4-propan-2-ylphenyl)butanoic acid
CID 680060
N-(3,5-dimethoxyphenyl)-4-oxo-2-piperidin-1-yl-4-(4-propan-2-ylphenyl)butanamide
CID 90677121
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]propanamide
CID 110314912
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-4-propan-2-ylbenzamide
CID 17177406
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43228365
dimethyl 5-[[(2S)-4-methoxy-2-(4-methylpiperazin-1-yl)-4-oxobutanoyl]amino]benzene-1,3-dicarboxylate
CID 7126680
2-[4-(3,5-dimethylpiperidine-1-carbonyl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)butanamide
CID 20973244
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(4-propan-2-ylanilino)acetamide
CID 109007895
2-(4-benzoylpiperazin-1-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 18085911
(2R)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-propan-2-ylphenyl)propanamide
CID 8774532
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
N-[4-[2-(4-methylpiperazin-1-yl)acetyl]phenyl]acetamide
CID 14852210

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide (CID 90677123) is 2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide is CC(C)c1ccc(NC(=O)C(CC(=O)c2ccc(C(C)C)cc2)N2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide?
The InChIKey is RTVVGXNPCFPTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-19(2)21-6-8-23(9-7-21)26(31)18-25(30-16-14-29(5)15-17-30)27(32)28-24-12-10-22(11-13-24)20(3)4/h6-13,19-20,25H,14-18H2,1-5H3,(H,28,32).
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide?
2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide has a molecular weight of 435.61 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-oxo-N,4-bis(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 90677123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).