N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide

C30H36N2O2 — CID 21196039

IUPACN-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide
SMILESCON(C)C(=O)CCCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H36N2O2/c1-31(34-2)29(33)20-12-13-25-21-23-32(24-22-25)30(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,14-19,25H,12-13,20-24H2,1-2H3
InChIKeyZKHMSWSWNVRTTA-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.88
Rot. Bonds9

About N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide

N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide (PubChem CID 21196039) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide
PubChem CID21196039
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC NameN-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide
SMILESCON(C)C(=O)CCCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H36N2O2/c1-31(34-2)29(33)20-12-13-25-21-23-32(24-22-25)30(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,14-19,25H,12-13,20-24H2,1-2H3
InChIKeyZKHMSWSWNVRTTA-UHFFFAOYSA-N
XLogP5.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide?
The IUPAC name of N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide (CID 21196039) is N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide.
What is the SMILES notation for N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide?
The canonical SMILES for N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide is CON(C)C(=O)CCCC1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide?
The InChIKey is ZKHMSWSWNVRTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-31(34-2)29(33)20-12-13-25-21-23-32(24-22-25)30(26-14-6-3-7-15-26,27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-11,14-19,25H,12-13,20-24H2,1-2H3.
What are the key properties of N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide?
N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide has a molecular weight of 456.63 g/mol, XLogP of 5.88, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-(1-tritylpiperidin-4-yl)butanamide is sourced from PubChem (CID 21196039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).