2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide

C20H33N5O2 — CID 78829560

IUPAC2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(CC(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C20H33N5O2/c1-5-25(6-2)20(27)16-24-13-11-23(12-14-24)15-19(26)21-17-7-9-18(10-8-17)22(3)4/h7-10H,5-6,11-16H2,1-4H3,(H,21,26)
InChIKeyKPEGTVWHVDYIHZ-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.18
Rot. Bonds8

About 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide

2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 78829560) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID78829560
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(CC(=O)Nc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C20H33N5O2/c1-5-25(6-2)20(27)16-24-13-11-23(12-14-24)15-19(26)21-17-7-9-18(10-8-17)22(3)4/h7-10H,5-6,11-16H2,1-4H3,(H,21,26)
InChIKeyKPEGTVWHVDYIHZ-UHFFFAOYSA-N
XLogP1.18
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 16597798
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
2-[4-(aminomethyl)piperidin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 68550086
(Z)-but-2-enedioic acid;N-[4-(dimethylamino)phenyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 20841508
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 3236568
2-(azepan-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2104267
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethyl-2-(4-methylpiperidin-1-yl)acetamide
CID 8557859
N-[4-(dimethylamino)phenyl]-4-ethylpiperazine-1-carboxamide
CID 108894833
N-[4-(dimethylamino)phenyl]-2-(6-oxopyrimidin-1-yl)acetamide
CID 121064222

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide (CID 78829560) is 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide is CCN(CC)C(=O)CN1CCN(CC(=O)Nc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is KPEGTVWHVDYIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-5-25(6-2)20(27)16-24-13-11-23(12-14-24)15-19(26)21-17-7-9-18(10-8-17)22(3)4/h7-10H,5-6,11-16H2,1-4H3,(H,21,26).
What are the key properties of 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide?
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 375.52 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 78829560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).