N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide

C14H18BrN3O2 — CID 95773132

IUPACN-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide
SMILESC[C@H]1C(=O)NCCN1CCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O2/c1-10-14(20)16-6-8-18(10)7-5-13(19)17-12-4-2-3-11(15)9-12/h2-4,9-10H,5-8H2,1H3,(H,16,20)(H,17,19)/t10-/m0/s1
InChIKeyHHKSBUPVAGKHCY-JTQLQIEISA-N
MW340.22 g/mol
LogP1.60
Rot. Bonds4

About N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide

N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide (PubChem CID 95773132) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide
PubChem CID95773132
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC NameN-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide
SMILESC[C@H]1C(=O)NCCN1CCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C14H18BrN3O2/c1-10-14(20)16-6-8-18(10)7-5-13(19)17-12-4-2-3-11(15)9-12/h2-4,9-10H,5-8H2,1H3,(H,16,20)(H,17,19)/t10-/m0/s1
InChIKeyHHKSBUPVAGKHCY-JTQLQIEISA-N
XLogP1.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide (CID 95773132) is N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide is C[C@H]1C(=O)NCCN1CCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide?
The InChIKey is HHKSBUPVAGKHCY-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-10-14(20)16-6-8-18(10)7-5-13(19)17-12-4-2-3-11(15)9-12/h2-4,9-10H,5-8H2,1H3,(H,16,20)(H,17,19)/t10-/m0/s1.
What are the key properties of N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide?
N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide has a molecular weight of 340.22 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxopiperazin-1-yl]propanamide is sourced from PubChem (CID 95773132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).