N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

C15H22BrN3O2 — CID 535863

IUPACN-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(CCO)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C15H22BrN3O2/c16-13-2-1-3-14(12-13)17-15(21)4-5-18-6-8-19(9-7-18)10-11-20/h1-3,12,20H,4-11H2,(H,17,21)
InChIKeyUDMXGQXFCFWIJK-UHFFFAOYSA-N
MW356.26 g/mol
LogP1.39
Rot. Bonds6

About N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (PubChem CID 535863) has the molecular formula C15H22BrN3O2 and a molecular weight of 356.26 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
PubChem CID535863
Molecular FormulaC15H22BrN3O2
Molecular Weight356.26 g/mol
Exact Mass355.09
IUPAC NameN-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(CCO)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C15H22BrN3O2/c16-13-2-1-3-14(12-13)17-15(21)4-5-18-6-8-19(9-7-18)10-11-20/h1-3,12,20H,4-11H2,(H,17,21)
InChIKeyUDMXGQXFCFWIJK-UHFFFAOYSA-N
XLogP1.39
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (CID 535863) is N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(CCO)CC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The InChIKey is UDMXGQXFCFWIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2/c16-13-2-1-3-14(12-13)17-15(21)4-5-18-6-8-19(9-7-18)10-11-20/h1-3,12,20H,4-11H2,(H,17,21).
What are the key properties of N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide has a molecular weight of 356.26 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 535863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).