N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide

C24H23BrN2O3 — CID 37025023

IUPACN-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1)c1ccccc1
InChIInChI=1S/C24H23BrN2O3/c25-23-20-9-5-4-6-17(20)10-11-21(23)30-16-22(28)27-14-12-19(13-15-27)26-24(29)18-7-2-1-3-8-18/h1-11,19H,12-16H2,(H,26,29)
InChIKeyXBYMHBCYVDZMJB-UHFFFAOYSA-N
MW467.36 g/mol
LogP4.40
Rot. Bonds5

About N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide

N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide (PubChem CID 37025023) has the molecular formula C24H23BrN2O3 and a molecular weight of 467.36 g/mol. Its IUPAC name is N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide
PubChem CID37025023
Molecular FormulaC24H23BrN2O3
Molecular Weight467.36 g/mol
Exact Mass466.09
IUPAC NameN-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1)c1ccccc1
InChIInChI=1S/C24H23BrN2O3/c25-23-20-9-5-4-6-17(20)10-11-21(23)30-16-22(28)27-14-12-19(13-15-27)26-24(29)18-7-2-1-3-8-18/h1-11,19H,12-16H2,(H,26,29)
InChIKeyXBYMHBCYVDZMJB-UHFFFAOYSA-N
XLogP4.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(1-bromonaphthalen-2-yl)oxyethanone
CID 1010742
2-(1-bromonaphthalen-2-yl)oxy-1-(3-methylpiperidin-1-yl)ethanone
CID 42990322
4-tert-butyl-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108554170
N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]-4-methylbenzamide
CID 108549148
2-(1-bromonaphthalen-2-yl)oxy-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 1300877
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
N-[1-[2-(methylamino)acetyl]piperidin-4-yl]benzamide
CID 119698218
N-[1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidin-4-yl]benzamide
CID 17432373
4-[2-(1-bromonaphthalen-2-yl)oxyacetyl]morpholine-2-carboxamide
CID 49417784

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide (CID 37025023) is N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide?
The InChIKey is XBYMHBCYVDZMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O3/c25-23-20-9-5-4-6-17(20)10-11-21(23)30-16-22(28)27-14-12-19(13-15-27)26-24(29)18-7-2-1-3-8-18/h1-11,19H,12-16H2,(H,26,29).
What are the key properties of N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide?
N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide has a molecular weight of 467.36 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-bromonaphthalen-2-yl)oxyacetyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 37025023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).