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

C22H35N3O3 — CID 4020156

IUPACN-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C22H35N3O3/c1-4-5-7-21(26)24-18-8-9-20(25-13-10-17(2)11-14-25)19(16-18)22(27)23-12-6-15-28-3/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyMDWPBKOTSGMFRB-UHFFFAOYSA-N
MW389.54 g/mol
LogP3.82
Rot. Bonds10

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

N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide (PubChem CID 4020156) has the molecular formula C22H35N3O3 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
PubChem CID4020156
Molecular FormulaC22H35N3O3
Molecular Weight389.54 g/mol
Exact Mass389.27
IUPAC NameN-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
SMILESCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCOC)c1
InChIInChI=1S/C22H35N3O3/c1-4-5-7-21(26)24-18-8-9-20(25-13-10-17(2)11-14-25)19(16-18)22(27)23-12-6-15-28-3/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyMDWPBKOTSGMFRB-UHFFFAOYSA-N
XLogP3.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.82
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-(nonanoylamino)benzamide
CID 4693028
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
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
5-(butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3631176
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
N-(3-ethoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(propanoylamino)benzamide
CID 4027553
5-(cyclobutanecarbonylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42752967
N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide
CID 42757238
5-(tert-butylcarbamoylamino)-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 42753069
5-[(4-fluorobenzoyl)amino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 4587444
5-[(3,4-dichlorophenyl)carbamoylamino]-N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)benzamide
CID 3544747

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide?
The IUPAC name of N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide (CID 4020156) is N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide is CCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCCOC)c1.
What is the InChIKey of N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide?
The InChIKey is MDWPBKOTSGMFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O3/c1-4-5-7-21(26)24-18-8-9-20(25-13-10-17(2)11-14-25)19(16-18)22(27)23-12-6-15-28-3/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide?
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide has a molecular weight of 389.54 g/mol, XLogP of 3.82, 10 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-(pentanoylamino)benzamide is sourced from PubChem (CID 4020156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).