2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride

C18H29ClN4O2 — CID 119914969

IUPAC2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCC(C)c1cccc(NC(=O)CN(C)CC(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-14(2)15-5-4-6-16(11-15)20-17(23)12-21(3)13-18(24)22-9-7-19-8-10-22;/h4-6,11,14,19H,7-10,12-13H2,1-3H3,(H,20,23);1H
InChIKeyKBWSQPFLTTXIGN-UHFFFAOYSA-N
MW368.91 g/mol
LogP1.53
Rot. Bonds6

About 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride

2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride (PubChem CID 119914969) has the molecular formula C18H29ClN4O2 and a molecular weight of 368.91 g/mol. Its IUPAC name is 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
PubChem CID119914969
Molecular FormulaC18H29ClN4O2
Molecular Weight368.91 g/mol
Exact Mass368.20
IUPAC Name2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
SMILESCC(C)c1cccc(NC(=O)CN(C)CC(=O)N2CCNCC2)c1.Cl
InChIInChI=1S/C18H28N4O2.ClH/c1-14(2)15-5-4-6-16(11-15)20-17(23)12-21(3)13-18(24)22-9-7-19-8-10-22;/h4-6,11,14,19H,7-10,12-13H2,1-3H3,(H,20,23);1H
InChIKeyKBWSQPFLTTXIGN-UHFFFAOYSA-N
XLogP1.53
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide
CID 119914970
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119915334
2-[methyl(piperidin-4-yl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride
CID 119912537
N-(2,3-dihydro-1H-inden-5-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915417
N-(2,6-dichlorophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914958
N-(4-bromophenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119914945
2-piperazin-1-yl-N-(3-propan-2-ylphenyl)acetamide
CID 29009163
N-(3-chloro-4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915267
N-(3-chlorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120981027
N-(3-fluorophenyl)-2-[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]acetamide
CID 120980407
N-(4-methoxyphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide;hydrochloride
CID 119915137
N-(4-ethylphenyl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 119915057

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride (CID 119914969) is 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride is CC(C)c1cccc(NC(=O)CN(C)CC(=O)N2CCNCC2)c1.Cl.
What is the InChIKey of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride?
The InChIKey is KBWSQPFLTTXIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.ClH/c1-14(2)15-5-4-6-16(11-15)20-17(23)12-21(3)13-18(24)22-9-7-19-8-10-22;/h4-6,11,14,19H,7-10,12-13H2,1-3H3,(H,20,23);1H.
What are the key properties of 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride?
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-(3-propan-2-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119914969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).