N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide

C19H28Cl2N4O2 — CID 78828696

IUPACN-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCN(CC)C(=O)CN1CCN(C(C)C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H28Cl2N4O2/c1-4-24(5-2)18(26)13-23-8-10-25(11-9-23)14(3)19(27)22-17-12-15(20)6-7-16(17)21/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,22,27)
InChIKeyINHJKYFJCUIPKS-UHFFFAOYSA-N
MW415.37 g/mol
LogP2.81
Rot. Bonds7

About N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide

N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 78828696) has the molecular formula C19H28Cl2N4O2 and a molecular weight of 415.37 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID78828696
Molecular FormulaC19H28Cl2N4O2
Molecular Weight415.37 g/mol
Exact Mass414.16
IUPAC NameN-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCN(CC)C(=O)CN1CCN(C(C)C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C19H28Cl2N4O2/c1-4-24(5-2)18(26)13-23-8-10-25(11-9-23)14(3)19(27)22-17-12-15(20)6-7-16(17)21/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,22,27)
InChIKeyINHJKYFJCUIPKS-UHFFFAOYSA-N
XLogP2.81
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2,5-dichlorophenyl)-2-(4-propylpiperazin-1-yl)propanamide
CID 7986989
(2R)-2-(4-benzylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690189
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
(2S)-N-(2,5-dichlorophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 2690347
N-(4-acetylphenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 78829581
N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247
(2S)-N-(2,5-dichlorophenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide
CID 2088438
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 78828727
(2R)-2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,5-dichlorophenyl)propanamide
CID 2690459
N-(5-chloro-2-methylphenyl)-2-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 24507499
4-[4-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzamide
CID 86969657
N-(2,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6465282

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 78828696) is N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide is CCN(CC)C(=O)CN1CCN(C(C)C(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is INHJKYFJCUIPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28Cl2N4O2/c1-4-24(5-2)18(26)13-23-8-10-25(11-9-23)14(3)19(27)22-17-12-15(20)6-7-16(17)21/h6-7,12,14H,4-5,8-11,13H2,1-3H3,(H,22,27).
What are the key properties of N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 415.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 78828696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).