2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide

C18H29N3O — CID 1439313

IUPAC2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(c2cc(C)ccc2C)CC1
InChIInChI=1S/C18H29N3O/c1-5-20(6-2)18(22)14-19-9-11-21(12-10-19)17-13-15(3)7-8-16(17)4/h7-8,13H,5-6,9-12,14H2,1-4H3
InChIKeyUCQVJTMSYVDYGG-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.29
Rot. Bonds5

About 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide

2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide (PubChem CID 1439313) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide
PubChem CID1439313
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCN(c2cc(C)ccc2C)CC1
InChIInChI=1S/C18H29N3O/c1-5-20(6-2)18(22)14-19-9-11-21(12-10-19)17-13-15(3)7-8-16(17)4/h7-8,13H,5-6,9-12,14H2,1-4H3
InChIKeyUCQVJTMSYVDYGG-UHFFFAOYSA-N
XLogP2.29
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[4-(6-methylquinolin-4-yl)piperazin-1-yl]acetamide
CID 133467701
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 71173381
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
N,N-diethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide chloride
CID 53346983
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 57442534
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(5-fluoro-2-methylphenyl)acetamide
CID 1448805
N-benzyl-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-ethylacetamide
CID 108998972
3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propan-1-ol
CID 15572518
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N,N-diphenylacetamide
CID 4120374
2-[4-(3,4-dimethylbenzoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 136576533
N-(4-butoxyphenyl)-2-[4-(2,5-dimethylphenyl)piperazin-1-yl]acetamide
CID 3229495
2-[4-(2-carbamoyl-5-methylphenyl)piperazin-1-yl]acetic acid
CID 62306876

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide (CID 1439313) is 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCN(c2cc(C)ccc2C)CC1.
What is the InChIKey of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide?
The InChIKey is UCQVJTMSYVDYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-5-20(6-2)18(22)14-19-9-11-21(12-10-19)17-13-15(3)7-8-16(17)4/h7-8,13H,5-6,9-12,14H2,1-4H3.
What are the key properties of 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide?
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide has a molecular weight of 303.45 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 1439313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).