1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride

C21H32ClN3O2 — CID 120667196

IUPAC1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-16-6-9-18(10-7-16)20(22)21(26)24-14-12-23(13-15-24)19(25)11-8-17-4-2-3-5-17;/h6-7,9-10,17,20H,2-5,8,11-15,22H2,1H3;1H
InChIKeyQPMNRXMTUNWXRZ-UHFFFAOYSA-N
MW393.96 g/mol
LogP3.06
Rot. Bonds5

About 1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride

1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride (PubChem CID 120667196) has the molecular formula C21H32ClN3O2 and a molecular weight of 393.96 g/mol. Its IUPAC name is 1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
PubChem CID120667196
Molecular FormulaC21H32ClN3O2
Molecular Weight393.96 g/mol
Exact Mass393.22
IUPAC Name1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
SMILESCc1ccc(C(N)C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1.Cl
InChIInChI=1S/C21H31N3O2.ClH/c1-16-6-9-18(10-7-16)20(22)21(26)24-14-12-23(13-15-24)19(25)11-8-17-4-2-3-5-17;/h6-7,9-10,17,20H,2-5,8,11-15,22H2,1H3;1H
InChIKeyQPMNRXMTUNWXRZ-UHFFFAOYSA-N
XLogP3.06
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.96
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride with MolForge

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Related Compounds

(2R)-2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119300407
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]-5-(4-methylphenyl)pentan-1-one
CID 60602172
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
2-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-cyclohexylacetamide;dihydrochloride
CID 120670145
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119715775
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one
CID 119300410
2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668435
2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 122080822
N-[4-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]phenyl]-4-methylbenzamide
CID 1056019

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride (CID 120667196) is 1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride is Cc1ccc(C(N)C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1.Cl.
What is the InChIKey of 1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride?
The InChIKey is QPMNRXMTUNWXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2.ClH/c1-16-6-9-18(10-7-16)20(22)21(26)24-14-12-23(13-15-24)19(25)11-8-17-4-2-3-5-17;/h6-7,9-10,17,20H,2-5,8,11-15,22H2,1H3;1H.
What are the key properties of 1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride?
1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride has a molecular weight of 393.96 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride is sourced from PubChem (CID 120667196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).