4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide

C25H38N4O3 — CID 55576443

IUPAC4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C25H38N4O3/c1-18(26-22(30)19-10-12-20(13-11-19)25(2,3)4)23(31)28-14-16-29(17-15-28)24(32)27-21-8-6-5-7-9-21/h10-13,18,21H,5-9,14-17H2,1-4H3,(H,26,30)(H,27,32)
InChIKeyARDUQNKMFMKOTB-UHFFFAOYSA-N
MW442.60 g/mol
LogP3.29
Rot. Bonds4

About 4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide

4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide (PubChem CID 55576443) has the molecular formula C25H38N4O3 and a molecular weight of 442.60 g/mol. Its IUPAC name is 4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide
PubChem CID55576443
Molecular FormulaC25H38N4O3
Molecular Weight442.60 g/mol
Exact Mass442.29
IUPAC Name4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C25H38N4O3/c1-18(26-22(30)19-10-12-20(13-11-19)25(2,3)4)23(31)28-14-16-29(17-15-28)24(32)27-21-8-6-5-7-9-21/h10-13,18,21H,5-9,14-17H2,1-4H3,(H,26,30)(H,27,32)
InChIKeyARDUQNKMFMKOTB-UHFFFAOYSA-N
XLogP3.29
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.60
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
4-tert-butyl-N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 2094670
4-tert-butyl-N-[(2S)-1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 9208945
[2-(cyclopentylamino)-2-oxoethyl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 8882183
6-(cyclopropylamino)-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]pyridine-3-carboxamide
CID 95305381
[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl] (2S)-2-[(4-tert-butylbenzoyl)amino]propanoate
CID 30798104
4-tert-butyl-N-[(2R)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25473091
4-tert-butyl-N-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38911698
N-[1-(cyclooctylamino)-1-oxopropan-2-yl]benzamide
CID 18158922
4-tert-butyl-N-[1-(2,2-dichloroacetyl)piperidin-4-yl]benzamide
CID 108561404
1-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 55930502
N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 9115909

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide (CID 55576443) is 4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide is CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide?
The InChIKey is ARDUQNKMFMKOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O3/c1-18(26-22(30)19-10-12-20(13-11-19)25(2,3)4)23(31)28-14-16-29(17-15-28)24(32)27-21-8-6-5-7-9-21/h10-13,18,21H,5-9,14-17H2,1-4H3,(H,26,30)(H,27,32).
What are the key properties of 4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide?
4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide has a molecular weight of 442.60 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-tert-butylbenzoyl)amino]propanoyl]-N-cyclohexylpiperazine-1-carboxamide is sourced from PubChem (CID 55576443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).