diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium

C23H39N4O2+ — CID 7306883

IUPACdiethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1cc(NC(=O)CC(C)C)ccc1N1CCCCC1
InChIInChI=1S/C23H38N4O2/c1-5-26(6-2)15-12-24-23(29)20-17-19(25-22(28)16-18(3)4)10-11-21(20)27-13-8-7-9-14-27/h10-11,17-18H,5-9,12-16H2,1-4H3,(H,24,29)(H,25,28)/p+1
InChIKeyCDOIPZMPKAAFGW-UHFFFAOYSA-O
MW403.59 g/mol
LogP2.32
Rot. Bonds10

About diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium

diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium (PubChem CID 7306883) has the molecular formula C23H39N4O2+ and a molecular weight of 403.59 g/mol. Its IUPAC name is diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium.

Molecular Properties

Compound Namediethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium
PubChem CID7306883
Molecular FormulaC23H39N4O2+
Molecular Weight403.59 g/mol
Exact Mass403.31
IUPAC Namediethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium
SMILESCC[NH+](CC)CCNC(=O)c1cc(NC(=O)CC(C)C)ccc1N1CCCCC1
InChIInChI=1S/C23H38N4O2/c1-5-26(6-2)15-12-24-23(29)20-17-19(25-22(28)16-18(3)4)10-11-21(20)27-13-8-7-9-14-27/h10-11,17-18H,5-9,12-16H2,1-4H3,(H,24,29)(H,25,28)/p+1
InChIKeyCDOIPZMPKAAFGW-UHFFFAOYSA-O
XLogP2.32
TPSA65.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.59
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(butanoylamino)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 771427
dimethyl-[3-[[2-pyrrolidin-1-yl-5-[[(3S)-3,5,5-trimethylhexanoyl]amino]benzoyl]amino]propyl]azanium
CID 7129864
diethyl-[2-[[5-(ethylcarbamoylamino)-2-(4-methylpiperidin-1-yl)benzoyl]amino]ethyl]azanium
CID 7230433
5-(octanoylamino)-N-propyl-2-pyrrolidin-1-ylbenzamide
CID 42755821
5-(dimethylcarbamoylamino)-2-piperidin-1-yl-N-propylbenzamide
CID 42755610
N-[2-(diethylamino)ethyl]-5-(3,3-dimethylbutanoylamino)-2-piperidin-1-ylbenzamide
CID 4538451
5-(decanoylamino)-N-(2-methoxyethyl)-2-piperidin-1-ylbenzamide
CID 4643650
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 42751065
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
N-(3-ethoxypropyl)-5-[(2-methoxyacetyl)amino]-2-piperidin-1-ylbenzamide
CID 3313832
5-acetamido-N-(3-methoxypropyl)-2-piperidin-1-ylbenzamide
CID 3470167
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160

Frequently Asked Questions

What is the IUPAC name of diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium?
The IUPAC name of diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium (CID 7306883) is diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium.
What is the SMILES notation for diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium?
The canonical SMILES for diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium is CC[NH+](CC)CCNC(=O)c1cc(NC(=O)CC(C)C)ccc1N1CCCCC1.
What is the InChIKey of diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium?
The InChIKey is CDOIPZMPKAAFGW-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H38N4O2/c1-5-26(6-2)15-12-24-23(29)20-17-19(25-22(28)16-18(3)4)10-11-21(20)27-13-8-7-9-14-27/h10-11,17-18H,5-9,12-16H2,1-4H3,(H,24,29)(H,25,28)/p+1.
What are the key properties of diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium?
diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium has a molecular weight of 403.59 g/mol, XLogP of 2.32, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[2-[[5-(3-methylbutanoylamino)-2-piperidin-1-ylbenzoyl]amino]ethyl]azanium is sourced from PubChem (CID 7306883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).