N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide

C17H23BrN4O3 — CID 1094961

IUPACN-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H23BrN4O3/c18-14-1-3-15(4-2-14)19-16(23)13-20-5-7-21(8-6-20)17(24)22-9-11-25-12-10-22/h1-4H,5-13H2,(H,19,23)
InChIKeyMEOBVJOLHUYISV-UHFFFAOYSA-N
MW411.30 g/mol
LogP1.46
Rot. Bonds3

About N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide

N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide (PubChem CID 1094961) has the molecular formula C17H23BrN4O3 and a molecular weight of 411.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
PubChem CID1094961
Molecular FormulaC17H23BrN4O3
Molecular Weight411.30 g/mol
Exact Mass410.10
IUPAC NameN-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C17H23BrN4O3/c18-14-1-3-15(4-2-14)19-16(23)13-20-5-7-21(8-6-20)17(24)22-9-11-25-12-10-22/h1-4H,5-13H2,(H,19,23)
InChIKeyMEOBVJOLHUYISV-UHFFFAOYSA-N
XLogP1.46
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-Bromophenyl)-2-(1-piperidinyl)acetamide
CID 326998
4-(4-Bromophenylcarbamoyl)morpholine
CID 853766
N-(4-bromophenyl)-2-morpholinoacetamide
CID 687266
N-(4-bromophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 991645
Ethyl 2-(N-(4-bromophenyl)-2-morpholinoacetamido)acetate
CID 654116
N-(4-bromophenyl)-2-[4-(piperidylsulfonyl)piperazinyl]acetamide
CID 2991371
3-(4-bromophenyl)-6-morpholinopyrimidine-2,4(1H,3H)-dione
CID 4383512
Ethyl 4-(1-(4-bromophenyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)piperazine-1-carboxylate
CID 9550852
N-(4-bromophenyl)-2-(4-cyclohexylpiperazin-1-yl)acetamide hydrochloride
CID 16192981
[4-(4-Bromophenyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 73671439
1-(4-Bromophenyl)-3-(2-oxo-1-piperidin-4-ylpyrrolidin-3-yl)urea
CID 166626814
2-{4-[2-(4-bromoanilino)-2-oxoethyl]piperazin-1-yl}-N-[4-(dimethylamino)phenyl]acetamide
CID 15996992

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide (CID 1094961) is N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)N2CCOCC2)CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is MEOBVJOLHUYISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN4O3/c18-14-1-3-15(4-2-14)19-16(23)13-20-5-7-21(8-6-20)17(24)22-9-11-25-12-10-22/h1-4H,5-13H2,(H,19,23).
What are the key properties of N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide?
N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 411.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 1094961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).