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

C25H33N3O2 — CID 11454449

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCOc1ccccc1N1CCN(CCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C25H33N3O2/c1-30-24-13-5-4-12-23(24)28-18-16-27(17-19-28)15-7-14-25(29)26-22-11-6-9-20-8-2-3-10-21(20)22/h2-5,8,10,12-13,22H,6-7,9,11,14-19H2,1H3,(H,26,29)
InChIKeyJRRCQQYYVCVERI-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.79
Rot. Bonds7

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

4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (PubChem CID 11454449) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
PubChem CID11454449
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide
SMILESCOc1ccccc1N1CCN(CCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C25H33N3O2/c1-30-24-13-5-4-12-23(24)28-18-16-27(17-19-28)15-7-14-25(29)26-22-11-6-9-20-8-2-3-10-21(20)22/h2-5,8,10,12-13,22H,6-7,9,11,14-19H2,1H3,(H,26,29)
InChIKeyJRRCQQYYVCVERI-UHFFFAOYSA-N
XLogP3.79
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide (CID 11454449) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is COc1ccccc1N1CCN(CCCC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
The InChIKey is JRRCQQYYVCVERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-30-24-13-5-4-12-23(24)28-18-16-27(17-19-28)15-7-14-25(29)26-22-11-6-9-20-8-2-3-10-21(20)22/h2-5,8,10,12-13,22H,6-7,9,11,14-19H2,1H3,(H,26,29).
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide has a molecular weight of 407.56 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)butanamide is sourced from PubChem (CID 11454449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).