N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide

C19H22BrN3O — CID 4306285

IUPACN-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C19H22BrN3O/c20-16-5-4-6-17(15-16)21-19(24)9-10-22-11-13-23(14-12-22)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,21,24)
InChIKeySRRFEVJPZKLVDJ-UHFFFAOYSA-N
MW388.31 g/mol
LogP3.60
Rot. Bonds5

About N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 4306285) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID4306285
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC NameN-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc(Br)c1
InChIInChI=1S/C19H22BrN3O/c20-16-5-4-6-17(15-16)21-19(24)9-10-22-11-13-23(14-12-22)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,21,24)
InChIKeySRRFEVJPZKLVDJ-UHFFFAOYSA-N
XLogP3.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 4306285) is N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is SRRFEVJPZKLVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c20-16-5-4-6-17(15-16)21-19(24)9-10-22-11-13-23(14-12-22)18-7-2-1-3-8-18/h1-8,15H,9-14H2,(H,21,24).
What are the key properties of N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 388.31 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 4306285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).