4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide

C18H28N4O2 — CID 120667255

IUPAC4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(N)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H28N4O2/c1-4-20(5-2)18(24)22-12-10-21(11-13-22)17(23)16(19)15-8-6-14(3)7-9-15/h6-9,16H,4-5,10-13,19H2,1-3H3
InChIKeyPTSBYKDDAUYJCR-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.60
Rot. Bonds4

About 4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide

4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide (PubChem CID 120667255) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
PubChem CID120667255
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)C(N)c2ccc(C)cc2)CC1
InChIInChI=1S/C18H28N4O2/c1-4-20(5-2)18(24)22-12-10-21(11-13-22)17(23)16(19)15-8-6-14(3)7-9-15/h6-9,16H,4-5,10-13,19H2,1-3H3
InChIKeyPTSBYKDDAUYJCR-UHFFFAOYSA-N
XLogP1.60
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(4-methylphenyl)-1-(4-propylpiperazin-1-yl)ethanone
CID 106151658
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668146
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151455
2-amino-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312078
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
N,N-diethyl-4-(4-methylbenzoyl)piperazine-1-carboxamide
CID 110365441
2-amino-1-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120667469
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668250
2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668435
2-amino-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 120667526

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide (CID 120667255) is 4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)C(N)c2ccc(C)cc2)CC1.
What is the InChIKey of 4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is PTSBYKDDAUYJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-20(5-2)18(24)22-12-10-21(11-13-22)17(23)16(19)15-8-6-14(3)7-9-15/h6-9,16H,4-5,10-13,19H2,1-3H3.
What are the key properties of 4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide?
4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 120667255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).