N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide

C20H31N3O — CID 17376689

IUPACN-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(N2CCN(CC(=O)NC3CCCCC3)CC2C)cc1
InChIInChI=1S/C20H31N3O/c1-16-8-10-19(11-9-16)23-13-12-22(14-17(23)2)15-20(24)21-18-6-4-3-5-7-18/h8-11,17-18H,3-7,12-15H2,1-2H3,(H,21,24)
InChIKeyBQRPCRYBKNTYLO-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.95
Rot. Bonds4

About N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide

N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide (PubChem CID 17376689) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
PubChem CID17376689
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
SMILESCc1ccc(N2CCN(CC(=O)NC3CCCCC3)CC2C)cc1
InChIInChI=1S/C20H31N3O/c1-16-8-10-19(11-9-16)23-13-12-22(14-17(23)2)15-20(24)21-18-6-4-3-5-7-18/h8-11,17-18H,3-7,12-15H2,1-2H3,(H,21,24)
InChIKeyBQRPCRYBKNTYLO-UHFFFAOYSA-N
XLogP2.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-3-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 66989567
N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 22199681
N-cyclohexyl-2-[(4R)-4-methyl-3-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2439184
N-cyclopropyl-2-[4-[2-(cyclopropylamino)-2-oxoethyl]-3-methylpiperazin-1-yl]acetamide
CID 78860681
N-cyclohexyl-2-[(3S)-3-hydroxypiperidin-1-yl]acetamide
CID 107225773
2-(3-anilinopyrrolidin-1-yl)-N-cyclooctylacetamide
CID 102555895
2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 120670145
N-cyclopentyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]acetamide
CID 78962574
N-cycloheptyl-2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 6469730
N-cyclooctyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918786
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cycloheptylacetamide
CID 6464509
N-cyclohexyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6468252

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide (CID 17376689) is N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide is Cc1ccc(N2CCN(CC(=O)NC3CCCCC3)CC2C)cc1.
What is the InChIKey of N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
The InChIKey is BQRPCRYBKNTYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16-8-10-19(11-9-16)23-13-12-22(14-17(23)2)15-20(24)21-18-6-4-3-5-7-18/h8-11,17-18H,3-7,12-15H2,1-2H3,(H,21,24).
What are the key properties of N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide?
N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide has a molecular weight of 329.49 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 17376689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).