N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide

C24H30N2O2 — CID 21430592

IUPACN-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CC(O)c2ccc3c(c2)CCCC3)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O2/c27-23(21-11-10-18-6-4-5-9-20(18)16-21)17-26-14-12-22(13-15-26)25-24(28)19-7-2-1-3-8-19/h1-3,7-8,10-11,16,22-23,27H,4-6,9,12-15,17H2,(H,25,28)
InChIKeyLIUNBUWXJNKFAK-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.49
Rot. Bonds5

About N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide

N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide (PubChem CID 21430592) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide
PubChem CID21430592
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CC(O)c2ccc3c(c2)CCCC3)CC1)c1ccccc1
InChIInChI=1S/C24H30N2O2/c27-23(21-11-10-18-6-4-5-9-20(18)16-21)17-26-14-12-22(13-15-26)25-24(28)19-7-2-1-3-8-19/h1-3,7-8,10-11,16,22-23,27H,4-6,9,12-15,17H2,(H,25,28)
InChIKeyLIUNBUWXJNKFAK-UHFFFAOYSA-N
XLogP3.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide (CID 21430592) is N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CC(O)c2ccc3c(c2)CCCC3)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide?
The InChIKey is LIUNBUWXJNKFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c27-23(21-11-10-18-6-4-5-9-20(18)16-21)17-26-14-12-22(13-15-26)25-24(28)19-7-2-1-3-8-19/h1-3,7-8,10-11,16,22-23,27H,4-6,9,12-15,17H2,(H,25,28).
What are the key properties of N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide?
N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-hydroxy-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 21430592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).