2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide

C17H27N3O2 — CID 47029114

IUPAC2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCOc1ccccc1C(=O)NCCCCN1CCN(C)CC1
InChIInChI=1S/C17H27N3O2/c1-19-11-13-20(14-12-19)10-6-5-9-18-17(21)15-7-3-4-8-16(15)22-2/h3-4,7-8H,5-6,9-14H2,1-2H3,(H,18,21)
InChIKeyBVWWDKBAAUWOHJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.45
Rot. Bonds7

About 2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide

2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide (PubChem CID 47029114) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
PubChem CID47029114
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
SMILESCOc1ccccc1C(=O)NCCCCN1CCN(C)CC1
InChIInChI=1S/C17H27N3O2/c1-19-11-13-20(14-12-19)10-6-5-9-18-17(21)15-7-3-4-8-16(15)22-2/h3-4,7-8H,5-6,9-14H2,1-2H3,(H,18,21)
InChIKeyBVWWDKBAAUWOHJ-UHFFFAOYSA-N
XLogP1.45
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
N-[6-(1,3-dihydroisoindol-2-yl)hexyl]-2-methoxybenzamide
CID 141337062
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methoxybenzamide
CID 39614122
2-ethoxy-N-[3-[4-[3-[(2-ethoxybenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 2932757
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CID 747202
2-iodo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 11027407
2-(2-methoxyphenoxy)-N-[5-(4-methylpiperazin-1-yl)pentyl]acetamide
CID 110443295
2-methoxy-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]benzamide
CID 47790621
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994
N-(4-chlorobutyl)-2-methoxybenzamide
CID 106845525
N-(4-bromobutyl)-2-methoxybenzamide
CID 106845963

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide (CID 47029114) is 2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide is COc1ccccc1C(=O)NCCCCN1CCN(C)CC1.
What is the InChIKey of 2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
The InChIKey is BVWWDKBAAUWOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-19-11-13-20(14-12-19)10-6-5-9-18-17(21)15-7-3-4-8-16(15)22-2/h3-4,7-8H,5-6,9-14H2,1-2H3,(H,18,21).
What are the key properties of 2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide?
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide has a molecular weight of 305.42 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide is sourced from PubChem (CID 47029114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).