N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide

C21H23BrN2O3 — CID 108556946

IUPACN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C21H23BrN2O3/c1-15-2-8-19(9-3-15)27-14-20(25)23-18-10-12-24(13-11-18)21(26)16-4-6-17(22)7-5-16/h2-9,18H,10-14H2,1H3,(H,23,25)
InChIKeyNJSRHIBKAAHGRY-UHFFFAOYSA-N
MW431.33 g/mol
LogP3.56
Rot. Bonds5

About N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide

N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 108556946) has the molecular formula C21H23BrN2O3 and a molecular weight of 431.33 g/mol. Its IUPAC name is N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
PubChem CID108556946
Molecular FormulaC21H23BrN2O3
Molecular Weight431.33 g/mol
Exact Mass430.09
IUPAC NameN-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C21H23BrN2O3/c1-15-2-8-19(9-3-15)27-14-20(25)23-18-10-12-24(13-11-18)21(26)16-4-6-17(22)7-5-16/h2-9,18H,10-14H2,1H3,(H,23,25)
InChIKeyNJSRHIBKAAHGRY-UHFFFAOYSA-N
XLogP3.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
2-(4-acetylphenoxy)-N-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 71933874
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556948
2-(4-methylphenoxy)-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetamide
CID 108557017
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108557001
2-(4-bromophenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179624
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108562484
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
CID 108564071
2-(4-bromophenoxy)-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide
CID 2948180
2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108556994
N-cyclododecyl-2-(4-methylphenoxy)acetamide
CID 2788426

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide (CID 108556946) is N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is NJSRHIBKAAHGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3/c1-15-2-8-19(9-3-15)27-14-20(25)23-18-10-12-24(13-11-18)21(26)16-4-6-17(22)7-5-16/h2-9,18H,10-14H2,1H3,(H,23,25).
What are the key properties of N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide?
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 431.33 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 108556946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).