3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C24H31N3O2 — CID 120753701

IUPAC3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCOc1ccccc1C1CNCCN1CCC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-29-23-12-5-4-10-20(23)22-17-25-14-16-27(22)15-13-24(28)26-21-11-6-8-18-7-2-3-9-19(18)21/h2-5,7,9-10,12,21-22,25H,6,8,11,13-17H2,1H3,(H,26,28)
InChIKeyBWPDJCKMXXVYBU-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.23
Rot. Bonds6

About 3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 120753701) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

Compound Name3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
PubChem CID120753701
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
SMILESCOc1ccccc1C1CNCCN1CCC(=O)NC1CCCc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-29-23-12-5-4-10-20(23)22-17-25-14-16-27(22)15-13-24(28)26-21-11-6-8-18-7-2-3-9-19(18)21/h2-5,7,9-10,12,21-22,25H,6,8,11,13-17H2,1H3,(H,26,28)
InChIKeyBWPDJCKMXXVYBU-UHFFFAOYSA-N
XLogP3.23
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-pyridin-3-ylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 120755177
[2-(2-methoxyphenyl)piperazin-1-yl]-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 120733877
N-cyclopentyl-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753414
N-[(2-chlorophenyl)methyl]-3-[2-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 120753162
1-[2-(2-methoxyphenyl)piperazin-1-yl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone;hydrochloride
CID 120732822
2-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(oxan-4-yl)acetamide
CID 120753451
N-(cyclopropylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753652
(2R)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 124703488
(2S)-1-[3-oxo-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]pyrrolidine-2-carboxylic acid
CID 125118742
N-(cyclohexylcarbamoyl)-2-[2-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 120753392
2-methoxy-N-[3-oxo-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propyl]benzamide
CID 41135260
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 2710167

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The IUPAC name of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 120753701) is 3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.
What is the SMILES notation for 3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The canonical SMILES for 3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is COc1ccccc1C1CNCCN1CCC(=O)NC1CCCc2ccccc21.
What is the InChIKey of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
The InChIKey is BWPDJCKMXXVYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-29-23-12-5-4-10-20(23)22-17-25-14-16-27(22)15-13-24(28)26-21-11-6-8-18-7-2-3-9-19(18)21/h2-5,7,9-10,12,21-22,25H,6,8,11,13-17H2,1H3,(H,26,28).
What are the key properties of 3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?
3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 393.53 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 120753701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).