N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide

C17H25ClN4O2 — CID 55566269

IUPACN-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCNC(=O)CN1CCN(C(C)C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-3-19-16(23)12-21-7-9-22(10-8-21)13(2)17(24)20-15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeySSZANKACBWXSMD-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.42
Rot. Bonds6

About N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide

N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide (PubChem CID 55566269) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
PubChem CID55566269
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC NameN-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
SMILESCCNC(=O)CN1CCN(C(C)C(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C17H25ClN4O2/c1-3-19-16(23)12-21-7-9-22(10-8-21)13(2)17(24)20-15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,23)(H,20,24)
InChIKeySSZANKACBWXSMD-UHFFFAOYSA-N
XLogP1.42
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 86908959
(2S)-N-(3-chlorophenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propanamide
CID 8774686
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55565860
(2S)-N-(3,5-dichlorophenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774492
(2R)-N-(3,5-dichlorophenyl)-2-[4-[2-(methylamino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 8774494
(2S)-N-(3-chlorophenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]propanamide
CID 92987466
N-(3-chlorophenyl)-2-(4-propanoyl-1,4-diazepan-1-yl)propanamide
CID 87021789
2-[4-[2-(butylamino)-2-oxoethyl]piperazin-1-yl]-N-(4-chlorophenyl)propanamide
CID 43030846
N-(3,4-dichlorophenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78842119
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 86923497
(2S)-N-(3-chlorophenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
CID 27159268
2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 55565664

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide (CID 55566269) is N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide is CCNC(=O)CN1CCN(C(C)C(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
The InChIKey is SSZANKACBWXSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-3-19-16(23)12-21-7-9-22(10-8-21)13(2)17(24)20-15-6-4-5-14(18)11-15/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide?
N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide has a molecular weight of 352.87 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-[2-(ethylamino)-2-oxoethyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55566269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).