N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

C25H32N2O3 — CID 154839990

IUPACN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)CCCC2)NCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C25H32N2O3/c28-23-11-13-27(14-12-23)17-22-8-4-3-7-21(22)16-26-25(29)18-30-24-10-9-19-5-1-2-6-20(19)15-24/h3-4,7-10,15,23,28H,1-2,5-6,11-14,16-18H2,(H,26,29)
InChIKeyZIFGNAZVLSBCFG-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.22
Rot. Bonds7

About N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide

N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (PubChem CID 154839990) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.

Molecular Properties

Compound NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
PubChem CID154839990
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)CCCC2)NCc1ccccc1CN1CCC(O)CC1
InChIInChI=1S/C25H32N2O3/c28-23-11-13-27(14-12-23)17-22-8-4-3-7-21(22)16-26-25(29)18-30-24-10-9-19-5-1-2-6-20(19)15-24/h3-4,7-10,15,23,28H,1-2,5-6,11-14,16-18H2,(H,26,29)
InChIKeyZIFGNAZVLSBCFG-UHFFFAOYSA-N
XLogP3.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yloxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969266
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 111520289
2-(3,5-dimethylphenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142680
2-(4-methoxyphenoxy)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969090
N'-[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]oxamide
CID 154838011
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
1-amino-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119895679
2-(4-cyanophenoxy)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9142712
(2S)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100700382
N-[(4-methylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 100539829
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200091
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-phenoxyacetamide
CID 110780371

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The IUPAC name of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide (CID 154839990) is N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide.
What is the SMILES notation for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The canonical SMILES for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is O=C(COc1ccc2c(c1)CCCC2)NCc1ccccc1CN1CCC(O)CC1.
What is the InChIKey of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
The InChIKey is ZIFGNAZVLSBCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c28-23-11-13-27(14-12-23)17-22-8-4-3-7-21(22)16-26-25(29)18-30-24-10-9-19-5-1-2-6-20(19)15-24/h3-4,7-10,15,23,28H,1-2,5-6,11-14,16-18H2,(H,26,29).
What are the key properties of N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide?
N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide has a molecular weight of 408.54 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide is sourced from PubChem (CID 154839990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).