N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide

C27H50N4O3 — CID 3978561

IUPACN-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide
SMILESCCCCCCCCCC(=O)NC(C(=O)N1CCN(C(=O)NC2CCCCC2)CC1)C(C)CC
InChIInChI=1S/C27H50N4O3/c1-4-6-7-8-9-10-14-17-24(32)29-25(22(3)5-2)26(33)30-18-20-31(21-19-30)27(34)28-23-15-12-11-13-16-23/h22-23,25H,4-21H2,1-3H3,(H,28,34)(H,29,32)
InChIKeyWJZAPXLOMAIBBH-UHFFFAOYSA-N
MW478.72 g/mol
LogP4.84
Rot. Bonds13

About N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide

N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide (PubChem CID 3978561) has the molecular formula C27H50N4O3 and a molecular weight of 478.72 g/mol. Its IUPAC name is N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide
PubChem CID3978561
Molecular FormulaC27H50N4O3
Molecular Weight478.72 g/mol
Exact Mass478.39
IUPAC NameN-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide
SMILESCCCCCCCCCC(=O)NC(C(=O)N1CCN(C(=O)NC2CCCCC2)CC1)C(C)CC
InChIInChI=1S/C27H50N4O3/c1-4-6-7-8-9-10-14-17-24(32)29-25(22(3)5-2)26(33)30-18-20-31(21-19-30)27(34)28-23-15-12-11-13-16-23/h22-23,25H,4-21H2,1-3H3,(H,28,34)(H,29,32)
InChIKeyWJZAPXLOMAIBBH-UHFFFAOYSA-N
XLogP4.84
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.72
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-methyl-4-[3-methyl-2-(3-methylbutanoylamino)pentanoyl]piperazine-1-carboxamide
CID 4587553
N-[1-[4-(cyclopropanecarbonyl)-3-methylpiperazin-1-yl]-3-methyl-1-oxopentan-2-yl]hexanamide
CID 42707755
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
N-cyclohexyl-4-(2-ethylbutanoyl)-1,4-diazepane-1-carboxamide
CID 110811406
4-[2-(cyclobutanecarbonylamino)-3-methylpentanoyl]-N-cyclohexyl-2-methylpiperazine-1-carboxamide
CID 42724981
(2S,3S)-3-methyl-2-(pentadecanoylamino)pentanoic acid
CID 10196275
3-methyl-2-(tetradecanoylamino)pentanoic acid
CID 13002787
(2S)-2-(docosanoylamino)-3-methylpentanoic acid
CID 139298732
(2S,3S)-2-(henicosanoylamino)-3-methylpentanoic acid
CID 171116876
(2S)-3-methyl-2-(octadecanoylamino)pentanoic acid
CID 90103267
2-(henicosanoylamino)-3-methylpentanoic acid
CID 11690720

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide (CID 3978561) is N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide is CCCCCCCCCC(=O)NC(C(=O)N1CCN(C(=O)NC2CCCCC2)CC1)C(C)CC.
What is the InChIKey of N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide?
The InChIKey is WJZAPXLOMAIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50N4O3/c1-4-6-7-8-9-10-14-17-24(32)29-25(22(3)5-2)26(33)30-18-20-31(21-19-30)27(34)28-23-15-12-11-13-16-23/h22-23,25H,4-21H2,1-3H3,(H,28,34)(H,29,32).
What are the key properties of N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide?
N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide has a molecular weight of 478.72 g/mol, XLogP of 4.84, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[2-(decanoylamino)-3-methylpentanoyl]piperazine-1-carboxamide is sourced from PubChem (CID 3978561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).