4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide

C24H33N3O3 — CID 68967061

IUPAC4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide
SMILESCCCCN1CCC(Oc2ccc(C(=O)Nc3cc(OC)ccc3NC)cc2)CC1
InChIInChI=1S/C24H33N3O3/c1-4-5-14-27-15-12-20(13-16-27)30-19-8-6-18(7-9-19)24(28)26-23-17-21(29-3)10-11-22(23)25-2/h6-11,17,20,25H,4-5,12-16H2,1-3H3,(H,26,28)
InChIKeyJCXCSVSARRVGEF-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.63
Rot. Bonds9

About 4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide

4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide (PubChem CID 68967061) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide
PubChem CID68967061
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide
SMILESCCCCN1CCC(Oc2ccc(C(=O)Nc3cc(OC)ccc3NC)cc2)CC1
InChIInChI=1S/C24H33N3O3/c1-4-5-14-27-15-12-20(13-16-27)30-19-8-6-18(7-9-19)24(28)26-23-17-21(29-3)10-11-22(23)25-2/h6-11,17,20,25H,4-5,12-16H2,1-3H3,(H,26,28)
InChIKeyJCXCSVSARRVGEF-UHFFFAOYSA-N
XLogP4.63
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.63
H-Bond Donors ≤ 52
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

4-(1-butylpiperidin-4-yl)oxy-N-[4-[2,5-difluoro-4-(pentylcarbamoylamino)phenoxy]phenyl]benzamide
CID 69143674
4-(1-butylpiperidin-4-yl)oxy-N-[4-(2-methoxyphenoxy)phenyl]-3-methylbenzamide
CID 91359232
4-(1-butylpiperidin-4-yl)oxy-N-[2-fluoro-4-(2-methoxy-4-nitrophenoxy)phenyl]-3-methylbenzamide
CID 68969305
[4-(1-butylpiperidin-4-yl)oxyphenyl]-(2,3-dihydroindol-1-yl)methanone
CID 141158209
N-(2,5-dimethoxyphenyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43920068
1-benzyl-1-(1-butylpiperidin-4-yl)-3-(2-chloro-5-methoxyphenyl)urea
CID 140907556
4-(4-cyclopentyloxyphenyl)-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 166323103
N-(2-aminophenyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxybenzamide;methane
CID 160587911
N-[4-methoxy-2-[[2-(3-methoxypiperidin-1-yl)acetyl]amino]phenyl]-4-phenylbenzamide
CID 90462929
[4-(1-butylpiperidin-4-yl)oxyphenyl]-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone
CID 175934210
N-(2-butoxy-5-methoxyphenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 55675382
4-cyclopentyloxy-N-(2,5-dimethoxyphenyl)-3-methoxybenzamide
CID 55792810

Frequently Asked Questions

What is the IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide?
The IUPAC name of 4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide (CID 68967061) is 4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide.
What is the SMILES notation for 4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide?
The canonical SMILES for 4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide is CCCCN1CCC(Oc2ccc(C(=O)Nc3cc(OC)ccc3NC)cc2)CC1.
What is the InChIKey of 4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide?
The InChIKey is JCXCSVSARRVGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-4-5-14-27-15-12-20(13-16-27)30-19-8-6-18(7-9-19)24(28)26-23-17-21(29-3)10-11-22(23)25-2/h6-11,17,20,25H,4-5,12-16H2,1-3H3,(H,26,28).
What are the key properties of 4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide?
4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide has a molecular weight of 411.55 g/mol, XLogP of 4.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylpiperidin-4-yl)oxy-N-[5-methoxy-2-(methylamino)phenyl]benzamide is sourced from PubChem (CID 68967061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).