2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide

C27H36N4O — CID 70154371

IUPAC2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide
SMILESCN1CCN(c2cccc3c2C[C@H](c2cc(N4CCCCC4)ccc2C(N)=O)CC3)CC1
InChIInChI=1S/C27H36N4O/c1-29-14-16-31(17-15-29)26-7-5-6-20-8-9-21(18-25(20)26)24-19-22(10-11-23(24)27(28)32)30-12-3-2-4-13-30/h5-7,10-11,19,21H,2-4,8-9,12-18H2,1H3,(H2,28,32)/t21-/m1/s1
InChIKeyYYJSFUSSUMNSMS-OAQYLSRUSA-N
MW432.61 g/mol
LogP3.80
Rot. Bonds4

About 2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide

2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide (PubChem CID 70154371) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is 2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide
PubChem CID70154371
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC Name2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide
SMILESCN1CCN(c2cccc3c2C[C@H](c2cc(N4CCCCC4)ccc2C(N)=O)CC3)CC1
InChIInChI=1S/C27H36N4O/c1-29-14-16-31(17-15-29)26-7-5-6-20-8-9-21(18-25(20)26)24-19-22(10-11-23(24)27(28)32)30-12-3-2-4-13-30/h5-7,10-11,19,21H,2-4,8-9,12-18H2,1H3,(H2,28,32)/t21-/m1/s1
InChIKeyYYJSFUSSUMNSMS-OAQYLSRUSA-N
XLogP3.80
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of 2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide (CID 70154371) is 2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide is CN1CCN(c2cccc3c2C[C@H](c2cc(N4CCCCC4)ccc2C(N)=O)CC3)CC1.
What is the InChIKey of 2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is YYJSFUSSUMNSMS-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H36N4O/c1-29-14-16-31(17-15-29)26-7-5-6-20-8-9-21(18-25(20)26)24-19-22(10-11-23(24)27(28)32)30-12-3-2-4-13-30/h5-7,10-11,19,21H,2-4,8-9,12-18H2,1H3,(H2,28,32)/t21-/m1/s1.
What are the key properties of 2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide?
2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 432.61 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 70154371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).