5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide

C26H35N3O2 — CID 11397799

IUPAC5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C26H35N3O2/c1-31-25-14-5-4-13-24(25)29-19-17-28(18-20-29)16-7-6-15-26(30)27-23-12-8-10-21-9-2-3-11-22(21)23/h2-5,9,11,13-14,23H,6-8,10,12,15-20H2,1H3,(H,27,30)
InChIKeyCOFRSTRKYJRGFB-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.18
Rot. Bonds8

About 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide

5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide (PubChem CID 11397799) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide.

Molecular Properties

Compound Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
PubChem CID11397799
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
SMILESCOc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc32)CC1
InChIInChI=1S/C26H35N3O2/c1-31-25-14-5-4-13-24(25)29-19-17-28(18-20-29)16-7-6-15-26(30)27-23-12-8-10-21-9-2-3-11-22(21)23/h2-5,9,11,13-14,23H,6-8,10,12,15-20H2,1H3,(H,27,30)
InChIKeyCOFRSTRKYJRGFB-UHFFFAOYSA-N
XLogP4.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The IUPAC name of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide (CID 11397799) is 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide.
What is the SMILES notation for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The canonical SMILES for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide is COc1ccccc1N1CCN(CCCCC(=O)NC2CCCc3ccccc32)CC1.
What is the InChIKey of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
The InChIKey is COFRSTRKYJRGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-31-25-14-5-4-13-24(25)29-19-17-28(18-20-29)16-7-6-15-26(30)27-23-12-8-10-21-9-2-3-11-22(21)23/h2-5,9,11,13-14,23H,6-8,10,12,15-20H2,1H3,(H,27,30).
What are the key properties of 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide?
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide has a molecular weight of 421.59 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide is sourced from PubChem (CID 11397799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).