(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide

C23H29N3O3 — CID 9130125

IUPAC(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CN2CCN([C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17(23(28)24-21-6-4-5-20(15-21)18(2)27)26-13-11-25(12-14-26)16-19-7-9-22(29-3)10-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,24,28)/t17-/m0/s1
InChIKeyINQIIENRUJSUSH-KRWDZBQOSA-N
MW395.50 g/mol
LogP3.04
Rot. Bonds7

About (2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide

(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 9130125) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is (2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID9130125
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide
SMILESCOc1ccc(CN2CCN([C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-17(23(28)24-21-6-4-5-20(15-21)18(2)27)26-13-11-25(12-14-26)16-19-7-9-22(29-3)10-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,24,28)/t17-/m0/s1
InChIKeyINQIIENRUJSUSH-KRWDZBQOSA-N
XLogP3.04
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanamide
CID 9258738
N-(4-methoxyphenyl)-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propanamide
CID 46632227
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
(2R)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 30622733
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335
(2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 9258253
(2S)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 9130375
(2R)-N-(3-acetylphenyl)-2-morpholin-4-ylpropanamide
CID 8903956
(2R)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3-cyanophenyl)propanamide
CID 9389720
N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide
CID 46995483
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-methylphenyl)propanamide
CID 55506004

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide (CID 9130125) is (2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide is COc1ccc(CN2CCN([C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1.
What is the InChIKey of (2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is INQIIENRUJSUSH-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17(23(28)24-21-6-4-5-20(15-21)18(2)27)26-13-11-25(12-14-26)16-19-7-9-22(29-3)10-8-19/h4-10,15,17H,11-14,16H2,1-3H3,(H,24,28)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide?
(2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 395.50 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 9130125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).