N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide

C25H42N4O2 — CID 42757238

IUPACN-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCN(CC)CC)c1
InChIInChI=1S/C25H42N4O2/c1-5-8-9-10-24(30)27-21-11-12-23(29-16-13-20(4)14-17-29)22(19-21)25(31)26-15-18-28(6-2)7-3/h11-12,19-20H,5-10,13-18H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyPCWPKDFDTSJJOW-UHFFFAOYSA-N
MW430.64 g/mol
LogP4.51
Rot. Bonds12

About N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide

N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide (PubChem CID 42757238) has the molecular formula C25H42N4O2 and a molecular weight of 430.64 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide
PubChem CID42757238
Molecular FormulaC25H42N4O2
Molecular Weight430.64 g/mol
Exact Mass430.33
IUPAC NameN-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide
SMILESCCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCN(CC)CC)c1
InChIInChI=1S/C25H42N4O2/c1-5-8-9-10-24(30)27-21-11-12-23(29-16-13-20(4)14-17-29)22(19-21)25(31)26-15-18-28(6-2)7-3/h11-12,19-20H,5-10,13-18H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyPCWPKDFDTSJJOW-UHFFFAOYSA-N
XLogP4.51
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.64
LogP ≤ 54.51
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-[2-(diethylamino)ethyl]-2-piperidin-1-yl-5-(tetradecanoylamino)benzamide
CID 42755679
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)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
N-[2-(diethylamino)ethyl]-5-[[2-(4-fluorophenyl)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 42757259
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(pentanoylamino)benzamide
CID 4020156
N-[2-(diethylamino)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5-(nonanoylamino)benzamide
CID 3907627
5-(heptanoylamino)-2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 5141483
5-[(2,6-dichlorophenyl)carbamoylamino]-N-[2-(diethylamino)ethyl]-2-(4-methylpiperidin-1-yl)benzamide
CID 42757410
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
5-(cyclopropanecarbonylamino)-N-[2-(diethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 42756085
2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 4276145

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide (CID 42757238) is N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide is CCCCCC(=O)Nc1ccc(N2CCC(C)CC2)c(C(=O)NCCN(CC)CC)c1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide?
The InChIKey is PCWPKDFDTSJJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N4O2/c1-5-8-9-10-24(30)27-21-11-12-23(29-16-13-20(4)14-17-29)22(19-21)25(31)26-15-18-28(6-2)7-3/h11-12,19-20H,5-10,13-18H2,1-4H3,(H,26,31)(H,27,30).
What are the key properties of N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide?
N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide has a molecular weight of 430.64 g/mol, XLogP of 4.51, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-(hexanoylamino)-2-(4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 42757238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).