2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

C24H28ClN3O3 — CID 25408220

IUPAC2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(COCC(=O)N1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C24H28ClN3O3/c25-19-7-4-8-20(15-19)27-11-13-28(14-12-27)24(30)17-31-16-23(29)26-22-10-3-6-18-5-1-2-9-21(18)22/h1-2,4-5,7-9,15,22H,3,6,10-14,16-17H2,(H,26,29)/t22-/m0/s1
InChIKeyWISCHHBQAPFJJW-QFIPXVFZSA-N
MW441.96 g/mol
LogP3.20
Rot. Bonds6

About 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide

2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (PubChem CID 25408220) has the molecular formula C24H28ClN3O3 and a molecular weight of 441.96 g/mol. Its IUPAC name is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
PubChem CID25408220
Molecular FormulaC24H28ClN3O3
Molecular Weight441.96 g/mol
Exact Mass441.18
IUPAC Name2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
SMILESO=C(COCC(=O)N1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C24H28ClN3O3/c25-19-7-4-8-20(15-19)27-11-13-28(14-12-27)24(30)17-31-16-23(29)26-22-10-3-6-18-5-1-2-9-21(18)22/h1-2,4-5,7-9,15,22H,3,6,10-14,16-17H2,(H,26,29)/t22-/m0/s1
InChIKeyWISCHHBQAPFJJW-QFIPXVFZSA-N
XLogP3.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.96
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5-[4-(3-chlorophenyl)piperazin-1-yl]-3-methyl-5-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide
CID 41244294
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(3-chlorophenoxy)acetate
CID 16512620
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 8548196
4-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]phenyl]piperazine-1-carboxylic acid
CID 151875161
[(1S)-1-(3-chlorophenyl)ethyl]-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 9331623
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-chloro-2-hydroxybenzoate
CID 23735052
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2566891
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 5-chloro-2-methoxybenzoate
CID 2512300
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 5-chloro-2-methoxybenzoate
CID 4874832
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 2570970
2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9251398
2-(4-chloro-2-fluorophenyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100671726

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The IUPAC name of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide (CID 25408220) is 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide.
What is the SMILES notation for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The canonical SMILES for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is O=C(COCC(=O)N1CCN(c2cccc(Cl)c2)CC1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
The InChIKey is WISCHHBQAPFJJW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28ClN3O3/c25-19-7-4-8-20(15-19)27-11-13-28(14-12-27)24(30)17-31-16-23(29)26-22-10-3-6-18-5-1-2-9-21(18)22/h1-2,4-5,7-9,15,22H,3,6,10-14,16-17H2,(H,26,29)/t22-/m0/s1.
What are the key properties of 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide?
2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide has a molecular weight of 441.96 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide is sourced from PubChem (CID 25408220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).