2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride

C21H34Cl2N4O2 — CID 120670145

IUPAC2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H32N4O2.2ClH/c1-16-7-9-17(10-8-16)20(22)21(27)25-13-11-24(12-14-25)15-19(26)23-18-5-3-2-4-6-18;;/h7-10,18,20H,2-6,11-15,22H2,1H3,(H,23,26);2*1H
InChIKeyGKXHKKHGJKFQPV-UHFFFAOYSA-N
MW445.44 g/mol
LogP2.43
Rot. Bonds5

About 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride

2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride (PubChem CID 120670145) has the molecular formula C21H34Cl2N4O2 and a molecular weight of 445.44 g/mol. Its IUPAC name is 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
PubChem CID120670145
Molecular FormulaC21H34Cl2N4O2
Molecular Weight445.44 g/mol
Exact Mass444.21
IUPAC Name2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H32N4O2.2ClH/c1-16-7-9-17(10-8-16)20(22)21(27)25-13-11-24(12-14-25)15-19(26)23-18-5-3-2-4-6-18;;/h7-10,18,20H,2-6,11-15,22H2,1H3,(H,23,26);2*1H
InChIKeyGKXHKKHGJKFQPV-UHFFFAOYSA-N
XLogP2.43
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2R)-2-aminopropanoyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 119876862
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 119876865
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120667196
2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312078
2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 106151658
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N-cyclohexylpropanamide
CID 120667696
2-amino-2-(4-methylphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 120669397
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone;dihydrochloride
CID 120669812
2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 122080822
4-[2-(cyclohexylamino)-2-oxoethyl]piperazine-1-carbothioic S-acid
CID 132941398

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
The IUPAC name of 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride (CID 120670145) is 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride is Cc1ccc(C(N)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1.Cl.Cl.
What is the InChIKey of 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
The InChIKey is GKXHKKHGJKFQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2.2ClH/c1-16-7-9-17(10-8-16)20(22)21(27)25-13-11-24(12-14-25)15-19(26)23-18-5-3-2-4-6-18;;/h7-10,18,20H,2-6,11-15,22H2,1H3,(H,23,26);2*1H.
What are the key properties of 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride?
2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride has a molecular weight of 445.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride is sourced from PubChem (CID 120670145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).