N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide

C17H27N3O — CID 83978321

IUPACN,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide
SMILESCCN(CC)C(=O)C(c1ccc(C)cc1)N1CCNCC1
InChIInChI=1S/C17H27N3O/c1-4-19(5-2)17(21)16(20-12-10-18-11-13-20)15-8-6-14(3)7-9-15/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyDGHCAVOLRVFNTL-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.81
Rot. Bonds5

About N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide

N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide (PubChem CID 83978321) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide
PubChem CID83978321
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide
SMILESCCN(CC)C(=O)C(c1ccc(C)cc1)N1CCNCC1
InChIInChI=1S/C17H27N3O/c1-4-19(5-2)17(21)16(20-12-10-18-11-13-20)15-8-6-14(3)7-9-15/h6-9,16,18H,4-5,10-13H2,1-3H3
InChIKeyDGHCAVOLRVFNTL-UHFFFAOYSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(4-methylphenyl)-piperazin-1-ylmethyl]benzamide
CID 10618862
2-(2,6-dichlorophenyl)-N,N-diethyl-2-piperazin-1-ylacetamide
CID 83977846
N,N-diethyl-2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)acetamide
CID 83978117
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
2-(4-tert-butylphenyl)-N,N-dimethyl-2-piperazin-1-ylacetamide
CID 83978608
N,N-diethyl-2-[4-[2-fluoro-4-(4-methylphenyl)phenyl]piperazin-1-yl]-2-phenylacetamide
CID 58055774
2-(4-butylphenyl)-2-piperazin-1-ylacetamide
CID 70044292
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
ethyl 2-(4-bromophenyl)-2-(1,4-diazepan-1-yl)acetate
CID 60992975
4-[(4-chlorophenyl)-piperazin-1-ylmethyl]-N,N-diethylbenzamide
CID 10786358
methyl (2R)-2-(4-chlorophenyl)-2-piperazin-1-ylacetate
CID 28819369
2-(4-methylphenyl)-2-piperazin-1-ylethanamine
CID 82079666

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide (CID 83978321) is N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide is CCN(CC)C(=O)C(c1ccc(C)cc1)N1CCNCC1.
What is the InChIKey of N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is DGHCAVOLRVFNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-19(5-2)17(21)16(20-12-10-18-11-13-20)15-8-6-14(3)7-9-15/h6-9,16,18H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide?
N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 289.42 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methylphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 83978321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).