N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide

C23H42N4O3 — CID 4587553

IUPACN-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide
SMILESCCC(C)C(NC(=O)CC(C)C)C(=O)N1CCN(C(=O)NC2CCCCC2)C(C)C1
InChIInChI=1S/C23H42N4O3/c1-6-17(4)21(25-20(28)14-16(2)3)22(29)26-12-13-27(18(5)15-26)23(30)24-19-10-8-7-9-11-19/h16-19,21H,6-15H2,1-5H3,(H,24,30)(H,25,28)
InChIKeyFQPHVMRLBVCWSY-UHFFFAOYSA-N
MW422.61 g/mol
LogP3.14
Rot. Bonds7

About N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide

N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide (PubChem CID 4587553) has the molecular formula C23H42N4O3 and a molecular weight of 422.61 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide
PubChem CID4587553
Molecular FormulaC23H42N4O3
Molecular Weight422.61 g/mol
Exact Mass422.33
IUPAC NameN-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide
SMILESCCC(C)C(NC(=O)CC(C)C)C(=O)N1CCN(C(=O)NC2CCCCC2)C(C)C1
InChIInChI=1S/C23H42N4O3/c1-6-17(4)21(25-20(28)14-16(2)3)22(29)26-12-13-27(18(5)15-26)23(30)24-19-10-8-7-9-11-19/h16-19,21H,6-15H2,1-5H3,(H,24,30)(H,25,28)
InChIKeyFQPHVMRLBVCWSY-UHFFFAOYSA-N
XLogP3.14
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(cyclobutanecarbonylamino)-3-methylpentanoyl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
CID 42724981
4-[2-[[3,5-bis(trifluoromethyl)benzoyl]amino]-3-methylpentanoyl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
CID 42724978
4-[2-(3-cyclopentylpropanoylamino)-3-methylpentanoyl]-2-methyl-N-propan-2-ylpiperazine-1-carboxamide
CID 42724893
N-cyclohexyl-4-[2-[(4-methoxyphenyl)sulfonylamino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
CID 42724995
N-[1-[4-(cyclohexanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]-3-cyclopentylpropanamide
CID 134089906
N-butyl-2-methyl-4-[3-methyl-2-(propanoylamino)pentanoyl]piperazine-1-carboxamide
CID 42724923
2-methyl-4-[3-methyl-2-[(2-phenylacetyl)amino]pentanoyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 4539298
N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide
CID 3978561
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]cyclopentanecarboxamide
CID 42707760
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
CID 42707755
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
CID 110810633
2-chloro-N-[3-methyl-1-(3-methyl-4-octanoylpiperazin-1-yl)-1-oxopentan-2-yl]acetamide
CID 4316747

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide (CID 4587553) is N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide is CCC(C)C(NC(=O)CC(C)C)C(=O)N1CCN(C(=O)NC2CCCCC2)C(C)C1.
What is the InChIKey of N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide?
The InChIKey is FQPHVMRLBVCWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O3/c1-6-17(4)21(25-20(28)14-16(2)3)22(29)26-12-13-27(18(5)15-26)23(30)24-19-10-8-7-9-11-19/h16-19,21H,6-15H2,1-5H3,(H,24,30)(H,25,28).
What are the key properties of N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide?
N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide has a molecular weight of 422.61 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 4587553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).