2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

C21H25BrN2O3 — CID 132669905

IUPAC2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C21H25BrN2O3/c1-15(26-18-7-3-16(22)4-8-18)21(25)23-17-5-9-19(10-6-17)27-20-11-13-24(2)14-12-20/h3-10,15,20H,11-14H2,1-2H3,(H,23,25)
InChIKeyNSIMCQFNCJLXOP-UHFFFAOYSA-N
MW433.35 g/mol
LogP4.33
Rot. Bonds6

About 2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide

2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (PubChem CID 132669905) has the molecular formula C21H25BrN2O3 and a molecular weight of 433.35 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
PubChem CID132669905
Molecular FormulaC21H25BrN2O3
Molecular Weight433.35 g/mol
Exact Mass432.10
IUPAC Name2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
SMILESCC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
InChIInChI=1S/C21H25BrN2O3/c1-15(26-18-7-3-16(22)4-8-18)21(25)23-17-5-9-19(10-6-17)27-20-11-13-24(2)14-12-20/h3-10,15,20H,11-14H2,1-2H3,(H,23,25)
InChIKeyNSIMCQFNCJLXOP-UHFFFAOYSA-N
XLogP4.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.35
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99971545
(2S)-2-(2-methoxyphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972736
(2S)-2-(2-ethylphenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 99972529
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
2-(2-chloro-4-fluorophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide
CID 131943396
4-[2-(4-bromophenoxy)propanoylamino]benzoic acid
CID 18837971
2-(4-bromophenoxy)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 133166744
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2R)-2-(4-bromophenoxy)-N-(4-fluorophenyl)propanamide
CID 7815653
N-(4-bromophenyl)-2-(4-fluorophenoxy)propanamide
CID 3305617
2-(4-bromophenoxy)-N-(4-phenoxyphenyl)propanamide
CID 18837977

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide (CID 132669905) is 2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is CC(Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
The InChIKey is NSIMCQFNCJLXOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3/c1-15(26-18-7-3-16(22)4-8-18)21(25)23-17-5-9-19(10-6-17)27-20-11-13-24(2)14-12-20/h3-10,15,20H,11-14H2,1-2H3,(H,23,25).
What are the key properties of 2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide?
2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide has a molecular weight of 433.35 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanamide is sourced from PubChem (CID 132669905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).