4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride

C26H43Cl2N3O3 — CID 70076286

IUPAC4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCOCC2CCCCC2)CC1.Cl
InChIInChI=1S/C26H42ClN3O3.ClH/c1-32-25-17-24(28)23(27)16-22(25)26(31)29-18-20-10-13-30(14-11-20)12-6-3-7-15-33-19-21-8-4-2-5-9-21;/h16-17,20-21H,2-15,18-19,28H2,1H3,(H,29,31);1H
InChIKeyYUJVJEWJXITMNB-UHFFFAOYSA-N
MW516.55 g/mol
LogP5.56
Rot. Bonds12

About 4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride

4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride (PubChem CID 70076286) has the molecular formula C26H43Cl2N3O3 and a molecular weight of 516.55 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride
PubChem CID70076286
Molecular FormulaC26H43Cl2N3O3
Molecular Weight516.55 g/mol
Exact Mass515.27
IUPAC Name4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCOCC2CCCCC2)CC1.Cl
InChIInChI=1S/C26H42ClN3O3.ClH/c1-32-25-17-24(28)23(27)16-22(25)26(31)29-18-20-10-13-30(14-11-20)12-6-3-7-15-33-19-21-8-4-2-5-9-21;/h16-17,20-21H,2-15,18-19,28H2,1H3,(H,29,31);1H
InChIKeyYUJVJEWJXITMNB-UHFFFAOYSA-N
XLogP5.56
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.55
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride with MolForge

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Related Compounds

4-amino-5-chloro-N-[[1-[5-[cyclohexyl(ethyl)amino]pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 54288772
4-amino-5-chloro-N-[[1-[6-(diethylamino)hexyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 54117469
4-amino-5-chloro-2-methoxy-N-[[1-(3-phenylsulfanylpropyl)piperidin-4-yl]methyl]benzamide
CID 54506693
4-amino-5-chloro-N-[[1-[5-(1,3-dioxoisoindol-2-yl)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 54379569
CID 59280146
CID 59280146
N-[[1-(5-acetamidopentyl)pyrrolidin-3-yl]methyl]-4-amino-5-chloro-2-methoxybenzamide
CID 15840963
4-[3-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]pyrrolidin-1-yl]butanoic acid
CID 18981916
4-amino-5-chloro-2-methoxy-N-[(3-methylcyclohexyl)methyl]benzamide;hydrochloride
CID 119750288
4-amino-5-chloro-N-[[1-[6-(3,4-difluorophenyl)-6-oxohexyl]piperidin-4-yl]methyl]-2-methoxybenzamide
CID 54574047
4-amino-N-[[1-(4-benzylsulfonylbutyl)piperidin-4-yl]methyl]-5-chloro-2-methoxybenzamide
CID 54165330
N-[6-[4-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]piperidin-1-yl]hexyl]-1-methylindole-3-carboxamide
CID 54404871
4-amino-5-chloro-2-methoxy-N-[[1-[4-(methylcarbamothioylamino)butyl]pyrrolidin-3-yl]methyl]benzamide
CID 54547589

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride (CID 70076286) is 4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCCCOCC2CCCCC2)CC1.Cl.
What is the InChIKey of 4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride?
The InChIKey is YUJVJEWJXITMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42ClN3O3.ClH/c1-32-25-17-24(28)23(27)16-22(25)26(31)29-18-20-10-13-30(14-11-20)12-6-3-7-15-33-19-21-8-4-2-5-9-21;/h16-17,20-21H,2-15,18-19,28H2,1H3,(H,29,31);1H.
What are the key properties of 4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride?
4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride has a molecular weight of 516.55 g/mol, XLogP of 5.56, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[[1-[5-(cyclohexylmethoxy)pentyl]piperidin-4-yl]methyl]-2-methoxybenzamide;hydrochloride is sourced from PubChem (CID 70076286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).