N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide

C21H39N3O2 — CID 86901724

IUPACN-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(C(=O)CC(C)C(C)(C)C)CC2)C1
InChIInChI=1S/C21H39N3O2/c1-16-7-6-8-18(13-16)22-19(25)15-23-9-11-24(12-10-23)20(26)14-17(2)21(3,4)5/h16-18H,6-15H2,1-5H3,(H,22,25)
InChIKeyJPEFMMXAQZLBJY-UHFFFAOYSA-N
MW365.56 g/mol
LogP2.90
Rot. Bonds5

About N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide

N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide (PubChem CID 86901724) has the molecular formula C21H39N3O2 and a molecular weight of 365.56 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide
PubChem CID86901724
Molecular FormulaC21H39N3O2
Molecular Weight365.56 g/mol
Exact Mass365.30
IUPAC NameN-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide
SMILESCC1CCCC(NC(=O)CN2CCN(C(=O)CC(C)C(C)(C)C)CC2)C1
InChIInChI=1S/C21H39N3O2/c1-16-7-6-8-18(13-16)22-19(25)15-23-9-11-24(12-10-23)20(26)14-17(2)21(3,4)5/h16-18H,6-15H2,1-5H3,(H,22,25)
InChIKeyJPEFMMXAQZLBJY-UHFFFAOYSA-N
XLogP2.90
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.56
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide;dihydrochloride
CID 119876812
2-[4-(4-aminopentanoyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 120565362
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172388
2-[4-(2-ethoxyacetyl)piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 95172391
2-[4-(3-ethoxypropanoyl)piperazin-1-yl]-N-[(1R,3S)-3-methylcyclohexyl]acetamide
CID 95172406
N-[(1R,3S)-3-methylcyclohexyl]-2-[4-(2-propan-2-ylsulfanylethyl)piperazin-1-yl]acetamide
CID 124842311
2-[4-[(1R,5R)-bicyclo[3.1.0]hexane-6-carbonyl]piperazin-1-yl]-N-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 100896929
N-[(1S,3R)-3-methylcyclohexyl]-2-[4-[(3R)-oxolane-3-carbonyl]piperazin-1-yl]acetamide
CID 95617402
N-(3-methylcyclohexyl)-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide;dihydrochloride
CID 119876760
2-[4-[2-(2,5-dihydro-1H-pyrrol-3-yl)-2-methylpropanoyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 166286453
N-cyclopropyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 110709709
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 119876809

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide (CID 86901724) is N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide is CC1CCCC(NC(=O)CN2CCN(C(=O)CC(C)C(C)(C)C)CC2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide?
The InChIKey is JPEFMMXAQZLBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N3O2/c1-16-7-6-8-18(13-16)22-19(25)15-23-9-11-24(12-10-23)20(26)14-17(2)21(3,4)5/h16-18H,6-15H2,1-5H3,(H,22,25).
What are the key properties of N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide?
N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide has a molecular weight of 365.56 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclohexyl)-2-[4-(3,4,4-trimethylpentanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 86901724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).