N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide

C16H22BrN3O2 — CID 119580068

IUPACN-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCNC(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O2/c1-11-10-20(8-7-18-11)16(22)9-15(19-12(2)21)13-3-5-14(17)6-4-13/h3-6,11,15,18H,7-10H2,1-2H3,(H,19,21)
InChIKeyANJICJNZSJPMEX-UHFFFAOYSA-N
MW368.28 g/mol
LogP1.84
Rot. Bonds4

About N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide

N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide (PubChem CID 119580068) has the molecular formula C16H22BrN3O2 and a molecular weight of 368.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide
PubChem CID119580068
Molecular FormulaC16H22BrN3O2
Molecular Weight368.28 g/mol
Exact Mass367.09
IUPAC NameN-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)NC(CC(=O)N1CCNC(C)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrN3O2/c1-11-10-20(8-7-18-11)16(22)9-15(19-12(2)21)13-3-5-14(17)6-4-13/h3-6,11,15,18H,7-10H2,1-2H3,(H,19,21)
InChIKeyANJICJNZSJPMEX-UHFFFAOYSA-N
XLogP1.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylpropyl]acetamide;hydrochloride
CID 119403227
N-[(1S)-3-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-1-(4-bromophenyl)-3-oxopropyl]acetamide
CID 124611964
(3S)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514247
N-[1-(4-bromophenyl)-3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119398231
N-[(1S)-3-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124589509
(2R)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119371259
4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 119579891
3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389659
4-bromo-N-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]benzamide;hydrochloride
CID 119579890
3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577272
[3-(3-methylpiperazin-1-yl)-3-oxo-1-thiophen-2-ylpropyl]urea
CID 119578761
N-[1-(4-bromophenyl)-3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]acetamide
CID 112772756

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide (CID 119580068) is N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide is CC(=O)NC(CC(=O)N1CCNC(C)C1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is ANJICJNZSJPMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3O2/c1-11-10-20(8-7-18-11)16(22)9-15(19-12(2)21)13-3-5-14(17)6-4-13/h3-6,11,15,18H,7-10H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide?
N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 368.28 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3-(3-methylpiperazin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 119580068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).