N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

C18H21BrN4O2 — CID 6467505

IUPACN-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C18H21BrN4O2/c1-25-16-5-3-15(4-6-16)23-10-8-22(9-11-23)13-18(24)21-17-7-2-14(19)12-20-17/h2-7,12H,8-11,13H2,1H3,(H,20,21,24)
InChIKeyBDVVBTMMVVWPFR-UHFFFAOYSA-N
MW405.30 g/mol
LogP2.61
Rot. Bonds5

About N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide

N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (PubChem CID 6467505) has the molecular formula C18H21BrN4O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
PubChem CID6467505
Molecular FormulaC18H21BrN4O2
Molecular Weight405.30 g/mol
Exact Mass404.08
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
SMILESCOc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)cc1
InChIInChI=1S/C18H21BrN4O2/c1-25-16-5-3-15(4-6-16)23-10-8-22(9-11-23)13-18(24)21-17-7-2-14(19)12-20-17/h2-7,12H,8-11,13H2,1H3,(H,20,21,24)
InChIKeyBDVVBTMMVVWPFR-UHFFFAOYSA-N
XLogP2.61
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 3287223
N-(3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 1374681
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 863788
2-[4-(4-methoxyphenyl)piperazin-1-yl]acetohydrazide
CID 2755809
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-2-[4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 159381922
4-[4-[2-(4-methoxyanilino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 20680478
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 1374696
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 17019578
4-[2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 37206607
2-ethyl-N-[5-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]butanamide
CID 113031151
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 18126812
dimethyl 5-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 22198635

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide (CID 6467505) is N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is COc1ccc(N2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
The InChIKey is BDVVBTMMVVWPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O2/c1-25-16-5-3-15(4-6-16)23-10-8-22(9-11-23)13-18(24)21-17-7-2-14(19)12-20-17/h2-7,12H,8-11,13H2,1H3,(H,20,21,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide?
N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide has a molecular weight of 405.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 6467505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).