3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide

C18H29N3O2 — CID 110441580

IUPAC3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
SMILESCOc1cccc(C(=O)NCCCCCN2CCN(C)CC2)c1
InChIInChI=1S/C18H29N3O2/c1-20-11-13-21(14-12-20)10-5-3-4-9-19-18(22)16-7-6-8-17(15-16)23-2/h6-8,15H,3-5,9-14H2,1-2H3,(H,19,22)
InChIKeyLWRTVOIJXYODPZ-UHFFFAOYSA-N
MW319.45 g/mol
LogP1.84
Rot. Bonds8

About 3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide

3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide (PubChem CID 110441580) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
PubChem CID110441580
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide
SMILESCOc1cccc(C(=O)NCCCCCN2CCN(C)CC2)c1
InChIInChI=1S/C18H29N3O2/c1-20-11-13-21(14-12-20)10-5-3-4-9-19-18(22)16-7-6-8-17(15-16)23-2/h6-8,15H,3-5,9-14H2,1-2H3,(H,19,22)
InChIKeyLWRTVOIJXYODPZ-UHFFFAOYSA-N
XLogP1.84
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.84
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

3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[5-[4-(3-methoxyphenyl)piperazin-1-yl]pentyl]naphthalene-2-carboxamide
CID 11270403
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3-methoxybenzamide
CID 10000302
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]butyl]-3-methoxybenzamide
CID 94123444
N-(6-bromohexyl)-3-methoxybenzamide
CID 114008510
3-methoxy-N-tridecylbenzamide
CID 139819898
N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide
CID 82163321
N-[5-(azepan-1-yl)pentyl]-3,5-dimethoxybenzamide
CID 110444718
N-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butyl]-2,1,3-benzoxadiazole-5-carboxamide
CID 44589131
3-methoxy-N-[2-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 10572037
3-methoxy-N-[2-[[N'-methyl-N-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111386707

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide?
The IUPAC name of 3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide (CID 110441580) is 3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide?
The canonical SMILES for 3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide is COc1cccc(C(=O)NCCCCCN2CCN(C)CC2)c1.
What is the InChIKey of 3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide?
The InChIKey is LWRTVOIJXYODPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-20-11-13-21(14-12-20)10-5-3-4-9-19-18(22)16-7-6-8-17(15-16)23-2/h6-8,15H,3-5,9-14H2,1-2H3,(H,19,22).
What are the key properties of 3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide?
3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide has a molecular weight of 319.45 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[5-(4-methylpiperazin-1-yl)pentyl]benzamide is sourced from PubChem (CID 110441580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).