N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide

C26H43N3O3 — CID 4693028

IUPACN-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
SMILESCCCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C26H43N3O3/c1-4-5-6-7-8-9-11-25(30)28-22-12-13-24(29-17-14-21(2)15-18-29)23(20-22)26(31)27-16-10-19-32-3/h12-13,20-21H,4-11,14-19H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyWDZXRCLGIJDRBR-UHFFFAOYSA-N
MW445.65 g/mol
LogP5.38
Rot. Bonds14

About N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide

N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide (PubChem CID 4693028) has the molecular formula C26H43N3O3 and a molecular weight of 445.65 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
PubChem CID4693028
Molecular FormulaC26H43N3O3
Molecular Weight445.65 g/mol
Exact Mass445.33
IUPAC NameN-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
SMILESCCCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C26H43N3O3/c1-4-5-6-7-8-9-11-25(30)28-22-12-13-24(29-17-14-21(2)15-18-29)23(20-22)26(31)27-16-10-19-32-3/h12-13,20-21H,4-11,14-19H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyWDZXRCLGIJDRBR-UHFFFAOYSA-N
XLogP5.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.65
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
5-(decanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 5202151
5-(heptanoylamino)-N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3296405
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3631176
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757238
5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5141483
N-(3-ethoxypropyl)-5-(nonanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5037032
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
2-(4-benzylpiperazin-1-yl)-5-(heptanoylamino)-N-(3-methoxypropyl)benzamide
CID 42659894
N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(propanoylamino)benzamide
CID 4027553

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide (CID 4693028) is N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide is CCCCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCOC)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide?
The InChIKey is WDZXRCLGIJDRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O3/c1-4-5-6-7-8-9-11-25(30)28-22-12-13-24(29-17-14-21(2)15-18-29)23(20-22)26(31)27-16-10-19-32-3/h12-13,20-21H,4-11,14-19H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide?
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide has a molecular weight of 445.65 g/mol, XLogP of 5.38, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide is sourced from PubChem (CID 4693028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).